69862558
  -OEChem-05082417342D

 46 49  0     0  0  0  0  0  0999 V2000
    3.4030    1.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.4440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    2.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 18  1  0  0  0  0
  2 13  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 33  1  0  0  0  0
  6 17  1  0  0  0  0
  6 28  2  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 21  2  0  0  0  0
 12 22  1  0  0  0  0
 14 30  1  0  0  0  0
 15 19  1  0  0  0  0
 15 31  1  0  0  0  0
 16 20  2  0  0  0  0
 16 32  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 24  1  0  0  0  0
 21 36  1  0  0  0  0
 22 25  2  0  0  0  0
 22 37  1  0  0  0  0
 23 27  1  0  0  0  0
 23 38  1  0  0  0  0
 24 26  2  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 41  1  0  0  0  0
 27 29  2  0  0  0  0
 27 42  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69862558

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
783

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAAAB0AAAHgQQQAAADAjB3gQ8gZLIEAKoAzV3VHDCgDAxAiAI2Lk4ZNgIIPLAlZGEIAhgggDIyQcYiMCOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[2-oxo-4-phenyl-5-(2-pyridyl)-1H-pyridin-3-yl]benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[2-oxo-4-phenyl-5-(2-pyridinyl)-1H-pyridin-3-yl]benzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(2-oxo-4-phenyl-5-pyridin-2-yl-1<I>H</I>-pyridin-3-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
4-(2-oxo-4-phenyl-5-pyridin-2-yl-1H-pyridin-3-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(2-oxidanylidene-4-phenyl-5-pyridin-2-yl-1H-pyridin-3-yl)benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[2-keto-4-phenyl-5-(2-pyridyl)-1H-pyridin-3-yl]benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H17N3O3S/c23-29(27,28)17-11-9-16(10-12-17)21-20(15-6-2-1-3-7-15)18(14-25-22(21)26)19-8-4-5-13-24-19/h1-14H,(H,25,26)(H2,23,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
LGECVFNOSUFGQR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
403.09906259

> <PUBCHEM_MOLECULAR_FORMULA>
C22H17N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
403.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=C(C(=O)NC=C2C3=CC=CC=N3)C4=CC=C(C=C4)S(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=C(C(=O)NC=C2C3=CC=CC=N3)C4=CC=C(C=C4)S(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
111

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
403.09906259

> <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  14  8
11  15  8
11  16  8
12  21  8
12  22  8
15  19  8
16  20  8
17  23  8
18  19  8
18  20  8
21  24  8
22  25  8
23  27  8
24  26  8
25  26  8
27  29  8
28  29  8
5  13  8
5  14  8
6  17  8
6  28  8
8  10  8
8  9  8
9  13  8

$$$$