62690568
  -OEChem-04162411592D

 33 34  0     0  0  0  0  0  0999 V2000
    5.4641    3.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.2150    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  6  1  0  0  0  0
  1  9  1  0  0  0  0
  4 15  2  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 27  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62690568

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
425

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgQQQAAADAjB2gQ8wZLIEAKoAjV3VHDCgDAxAiAI2Dk4ZJgIIPLAlZGEIAhglADIyAccCAAOAAQAAAAAAAAACAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3-pyridyl)-N-(4-sulfamoylphenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(3-pyridinyl)-N-(4-sulfamoylphenyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-pyridin-3-yl-<I>N</I>-(4-sulfamoylphenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-pyridin-3-yl-N-(4-sulfamoylphenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-pyridin-3-yl-N-(4-sulfamoylphenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3-pyridyl)-N-(4-sulfamoylphenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H13N3O3S/c14-20(18,19)12-5-3-11(4-6-12)16-13(17)8-10-2-1-7-15-9-10/h1-7,9H,8H2,(H,16,17)(H2,14,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
WHCIMAQRCPUYCW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.2

> <PUBCHEM_EXACT_MASS>
291.06776246

> <PUBCHEM_MOLECULAR_FORMULA>
C13H13N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
291.33

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

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

> <PUBCHEM_CACTVS_TPSA>
111

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.06776246

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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
12  14  8
16  17  8
16  18  8
17  19  8
19  20  8
7  18  8
7  20  8
8  13  8
8  14  8
9  11  8
9  12  8

$$$$