24981829
  -OEChem-04262416512D

 53 55  0     0  0  0  0  0  0999 V2000
    6.0010    2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2531    6.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546    6.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -4.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412    6.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    7.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0212    7.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -7.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0600    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  8  1  0  0  0  0
  1 11  1  0  0  0  0
  4 20  1  0  0  0  0
  4 25  1  0  0  0  0
  5 23  2  0  0  0  0
  6 27  1  0  0  0  0
  6 53  1  0  0  0  0
  7 26  2  0  0  0  0
  8 12  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 42  1  0  0  0  0
 10 26  1  0  0  0  0
 10 45  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 16  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 21  1  0  0  0  0
 18 38  1  0  0  0  0
 19 22  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
 25 29  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 27 30  2  0  0  0  0
 28 31  1  0  0  0  0
 28 46  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 32  1  0  0  0  0
 30 47  1  0  0  0  0
 31 32  2  0  0  0  0
 31 51  1  0  0  0  0
 32 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24981829

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
724

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHgQYSAAADAyh2AIyx4BiBgKIAiVSUHDCCBAkIgIaqBkGbMgMJjaGtZuCeWDm8BEI+Ye4yCCOEEAAAAAIAAAggAAAABAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H21N3O6S/c1-2-31-17-11-9-16(10-12-17)25-32(29,30)18-13-7-15(8-14-18)21(27)23-24-22(28)19-5-3-4-6-20(19)26/h3-14,25-26H,2H2,1H3,(H,23,27)(H,24,28)

> <PUBCHEM_IUPAC_INCHIKEY>
FDYGLTSNBZPEKM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
455.11510657

> <PUBCHEM_MOLECULAR_FORMULA>
C22H21N3O6S

> <PUBCHEM_MOLECULAR_WEIGHT>
455.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3O

> <PUBCHEM_CACTVS_TPSA>
142

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
455.11510657

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
11  13  8
11  14  8
12  18  8
12  19  8
13  16  8
14  17  8
15  16  8
15  17  8
18  21  8
19  22  8
20  21  8
20  22  8
24  27  8
24  28  8
27  30  8
28  31  8
30  32  8
31  32  8

$$$$