18109172
  -OEChem-05062414542D

 46 48  0     0  0  0  0  0  0999 V2000
    6.0010    3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  4 17  2  0  0  0  0
  5 25  1  0  0  0  0
  5 46  1  0  0  0  0
  6 24  2  0  0  0  0
  7 16  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 37  1  0  0  0  0
  9 24  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 12 15  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 19 36  1  0  0  0  0
 20 23  2  0  0  0  0
 20 38  1  0  0  0  0
 21 23  1  0  0  0  0
 21 39  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 40  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 42  1  0  0  0  0
 27 29  1  0  0  0  0
 27 43  1  0  0  0  0
 28 29  2  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
18109172

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
664

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHgQYSAAADAyB2AAwx4BiAgKIAiVSUHDCABAkIgIaqBkGbMgIJjaClZOAcUBm8BEI2YeYyCCOEAAAAAAIAAAgAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenyl-benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[[[(2-hydroxyphenyl)-oxomethyl]hydrazo]-oxomethyl]-N-phenylbenzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[[(2-hydroxybenzoyl)amino]carbamoyl]-<I>N</I>-phenylbenzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
4-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-phenylbenzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[[(2-hydroxyphenyl)carbonylamino]carbamoyl]-N-phenyl-benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-phenyl-4-[(salicyloylamino)carbamoyl]benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H17N3O5S/c24-18-9-5-4-8-17(18)20(26)22-21-19(25)14-10-12-16(13-11-14)29(27,28)23-15-6-2-1-3-7-15/h1-13,23-24H,(H,21,25)(H,22,26)

> <PUBCHEM_IUPAC_INCHIKEY>
KEIMRIJZBZZJJG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
411.08889182

> <PUBCHEM_MOLECULAR_FORMULA>
C20H17N3O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
411.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3O

> <PUBCHEM_CACTVS_TPSA>
133

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
411.08889182

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  12  8
11  14  8
12  15  8
13  14  8
13  15  8
16  18  8
16  19  8
18  20  8
19  21  8
20  23  8
21  23  8
22  25  8
22  26  8
25  27  8
26  28  8
27  29  8
28  29  8

$$$$