60863166
  -OEChem-04262423442D

 36 37  0     0  0  0  0  0  0999 V2000
    4.5981    3.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.7750    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 10  1  0  0  0  0
  4 16  2  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 28  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 17  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  2  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60863166

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
439

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgQQQAAADAjB3gQ8gZLIEAKoAzV3VHDCgDAxAiAI2Lk4ZJgIIPrA1ZGEIAhglgDIyAcYiACOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-pyridyl)-N-[(4-sulfamoylphenyl)methyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-pyridin-2-yl-<I>N</I>-[(4-sulfamoylphenyl)methyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-pyridyl)-N-(4-sulfamoylbenzyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H15N3O3S/c15-21(19,20)13-6-4-11(5-7-13)10-17-14(18)9-12-3-1-2-8-16-12/h1-8H,9-10H2,(H,17,18)(H2,15,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
IDNIQQREFGMWHH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.2

> <PUBCHEM_EXACT_MASS>
305.08341252

> <PUBCHEM_MOLECULAR_FORMULA>
C14H15N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
305.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=NC(=C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=NC(=C1)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N

> <PUBCHEM_CACTVS_TPSA>
111

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
305.08341252

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  13  8
10  14  8
11  13  8
12  14  8
17  18  8
18  19  8
19  21  8
20  21  8
7  17  8
7  20  8
8  11  8
8  12  8

$$$$