11452716
  -OEChem-10101305022D

 49 50  0     1  0  0  0  0  0999 V2000
    6.0010    5.6270    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6270    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    2.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    2.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.6270    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    4.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671    4.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    5.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    5.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    3.5444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    4.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    5.0193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    5.7096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    5.7470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1720    6.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250    6.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    5.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5150    5.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    4.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    4.7470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -1.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -1.2904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565   -4.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550   -5.4556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  5 17  2  0  0  0  0
  6 10  1  0  0  0  0
  6 44  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 27  1  0  0  0  0
  8 49  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 17  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  1  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 33  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 23  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  3  0  0  0  0
 26 27  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11452716

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
683

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABgAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgQUSAAADCzl0AayB4JQBgrIECFSEHBCCBAgIBAoiBmOCIgMdjKksTqWOCCk0BGoqAeAQAAIAIAAAAAAAAABAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S)-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(3S)-N-hydroxy-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxamide

> <PUBCHEM_IUPAC_NAME>
(3S)-N-hydroxy-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S)-2,2-dimethyl-N-oxidanyl-4-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S)-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
MAVDNGWEBZTACC-HNNXBMFYSA-N

> <PUBCHEM_XLOGP3_AA>
0.3

> <PUBCHEM_EXACT_MASS>
414.091928

> <PUBCHEM_MOLECULAR_FORMULA>
C17H22N2O6S2

> <PUBCHEM_MOLECULAR_WEIGHT>
414.49638

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)NO)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)NO)C

> <PUBCHEM_CACTVS_TPSA>
150

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
414.091928

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  17  5
18  19  8
18  20  8
19  21  8
20  22  8
21  23  8
22  23  8

$$$$