60600000
  -OEChem-04262422492D

 46 48  0     0  0  0  0  0  0999 V2000
    8.9282   -3.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942    2.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942    0.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  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 14  1  0  0  0  0
  3 21  1  0  0  0  0
  6 15  2  0  0  0  0
  7 10  1  0  0  0  0
  7 32  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 35  1  0  0  0  0
  9 18  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  2  0  0  0  0
 16 19  2  0  0  0  0
 16 36  1  0  0  0  0
 17 20  2  0  0  0  0
 17 37  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 39  1  0  0  0  0
 23 27  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  2  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 29  2  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60600000

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
645

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQBEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHwYQQAAACArB1iw8wZLIEAKoATV3VHDCgDAxByAI2Dk4dpgIYPLBk5GUIAhglADIyAcciICAAABAAAIAACAAAIAABAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(2-pyridyl)propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(2-pyridinyl)propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-pyridin-2-ylpropanamide

> <PUBCHEM_IUPAC_NAME>
N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-pyridin-2-ylpropanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[5-chloranyl-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-pyridin-2-yl-propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(2-pyridyl)propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H17ClFN3O3S/c21-14-8-10-17(25-29(27,28)19-7-2-1-6-16(19)22)18(13-14)24-20(26)11-9-15-5-3-4-12-23-15/h1-8,10,12-13,25H,9,11H2,(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
FJWDDTVMXWXEBP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
433.0663184

> <PUBCHEM_MOLECULAR_FORMULA>
C20H17ClFN3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
433.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)F)S(=O)(=O)NC2=C(C=C(C=C2)Cl)NC(=O)CCC3=CC=CC=N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)F)S(=O)(=O)NC2=C(C=C(C=C2)Cl)NC(=O)CCC3=CC=CC=N3

> <PUBCHEM_CACTVS_TPSA>
96.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
433.0663184

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

$$$$