9887803
  -OEChem-10101305032D

 34 35  0     0  0  0  0  0  0999 V2000
    8.0622    2.0950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 32  1  0  0  0  0
  8 18  2  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
  9 27  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 31  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9887803

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
559

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABGAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgYQSAAACA6B0CAxx4LAAgKIACRCUHDCABAhJwAIilIFboiKJiLTk5PEcAxs1BNY2CeQQAAAAABAASIAMJQAAIACRABhKAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4-chloro-2-hydroxy-3-sulfamoyl-phenyl)-3-(2,3-dichlorophenyl)urea

> <PUBCHEM_IUPAC_CAS_NAME>
1-(4-chloro-2-hydroxy-3-sulfamoylphenyl)-3-(2,3-dichlorophenyl)urea

> <PUBCHEM_IUPAC_NAME>
1-(4-chloro-2-hydroxy-3-sulfamoylphenyl)-3-(2,3-dichlorophenyl)urea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2,3-bis(chloranyl)phenyl]-3-(4-chloranyl-2-oxidanyl-3-sulfamoyl-phenyl)urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4-chloro-2-hydroxy-3-sulfamoyl-phenyl)-3-(2,3-dichlorophenyl)urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H10Cl3N3O4S/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)12(11(9)20)24(17,22)23/h1-5,20H,(H2,17,22,23)(H2,18,19,21)

> <PUBCHEM_IUPAC_INCHIKEY>
WTLRWOHEKQGKDS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
408.94576

> <PUBCHEM_MOLECULAR_FORMULA>
C13H10Cl3N3O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
410.6602

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N)O

> <PUBCHEM_CACTVS_TPSA>
130

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
408.94576

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
9

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  14  8
12  15  8
13  14  8
13  16  8
15  17  8
16  17  8
19  20  8
19  21  8
20  22  8
21  23  8
22  24  8
23  24  8

$$$$