70789360
  -OEChem-04262405352D

 46 49  0     0  0  0  0  0  0999 V2000
   12.6284   -0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8964    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617    0.2445    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3964    1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3964   -0.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527   -1.1567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7624    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6284    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7624    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4944    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6284    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -0.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4944    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836    0.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -1.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -1.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4934    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2255    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4333   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6274   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0314    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6284    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0314    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314    1.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    0.8573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -1.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    0.6880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -2.1026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -0.7920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3 23  1  0  0  0  0
  3 26  1  0  0  0  0
  6 16  2  0  0  0  0
  7 11  1  0  0  0  0
  7 32  1  0  0  0  0
  8 16  1  0  0  0  0
  8 23  1  0  0  0  0
  8 36  1  0  0  0  0
  9 17  2  0  0  0  0
  9 25  1  0  0  0  0
 10 19  1  0  0  0  0
 10 23  2  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 15 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 25  2  0  0  0  0
 18 35  1  0  0  0  0
 19 22  1  0  0  0  0
 19 26  2  0  0  0  0
 20 24  1  0  0  0  0
 20 37  1  0  0  0  0
 21 24  2  0  0  0  0
 21 38  1  0  0  0  0
 22 27  2  0  0  0  0
 22 28  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 26 41  1  0  0  0  0
 27 29  1  0  0  0  0
 27 42  1  0  0  0  0
 28 30  2  0  0  0  0
 28 43  1  0  0  0  0
 29 31  2  0  0  0  0
 29 44  1  0  0  0  0
 30 31  1  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70789360

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
714

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sABkAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB9AAAHgYQQAAADArF3iS90ZLIEAqsAzV3dHDC8Ll1HzkJ2D04dtiIYPrh35GUIYhokQLIyecUgIAOAAAAAAAAAIAAAAAAAAABAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(2-chlorophenyl)sulfonylamino]-N-(4-phenylthiazol-2-yl)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(2-chlorophenyl)sulfonylamino]-N-(4-phenyl-2-thiazolyl)-4-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[(2-chlorophenyl)sulfonylamino]-<I>N</I>-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
3-[(2-chlorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(2-chlorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[(2-chlorophenyl)sulfonylamino]-N-(4-phenylthiazol-2-yl)isonicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H15ClN4O3S2/c22-16-8-4-5-9-19(16)31(28,29)26-17-12-23-11-10-15(17)20(27)25-21-24-18(13-30-21)14-6-2-1-3-7-14/h1-13,26H,(H,24,25,27)

> <PUBCHEM_IUPAC_INCHIKEY>
MAOWQPFNYFZDOI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
470.0274104

> <PUBCHEM_MOLECULAR_FORMULA>
C21H15ClN4O3S2

> <PUBCHEM_MOLECULAR_WEIGHT>
471.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=NC=C3)NS(=O)(=O)C4=CC=CC=C4Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=NC=C3)NS(=O)(=O)C4=CC=CC=C4Cl

> <PUBCHEM_CACTVS_TPSA>
138

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
470.0274104

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  19  8
10  23  8
11  13  8
11  17  8
12  14  8
12  15  8
13  18  8
14  20  8
15  21  8
18  25  8
19  26  8
20  24  8
21  24  8
22  27  8
22  28  8
27  29  8
28  30  8
29  31  8
3  23  8
3  26  8
30  31  8
9  17  8
9  25  8

$$$$