60357699
  -OEChem-04242421242D

 48 50  0     0  0  0  0  0  0999 V2000
    3.7320   -1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3 25  1  0  0  0  0
  6 21  1  0  0  0  0
  6 29  1  0  0  0  0
  7 20  2  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  9 12  1  0  0  0  0
  9 20  1  0  0  0  0
  9 36  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 24  2  0  0  0  0
 18 22  1  0  0  0  0
 18 37  1  0  0  0  0
 19 23  2  0  0  0  0
 19 38  1  0  0  0  0
 21 26  2  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
 23 39  1  0  0  0  0
 24 27  1  0  0  0  0
 24 40  1  0  0  0  0
 26 28  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
 29 30  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60357699

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
664

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OYBAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwQQQAAADAyh2Aoyx4LABAKIAiVSUHDCCBAlIgAIiBkGbMgMJjbEtZuGOWjm9BHI6YeYyCCOAACAAAAIAAAAAQAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-ethoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-ethoxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-ethoxybenzamide

> <PUBCHEM_IUPAC_NAME>
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-ethoxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-[[3,4-bis(fluoranyl)phenyl]sulfonylamino]phenyl]-2-ethoxy-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-ethoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H18F2N2O4S/c1-2-29-20-6-4-3-5-17(20)21(26)24-14-7-9-15(10-8-14)25-30(27,28)16-11-12-18(22)19(23)13-16/h3-13,25H,2H2,1H3,(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
YUYLFEDHIIPPKS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
432.09553456

> <PUBCHEM_MOLECULAR_FORMULA>
C21H18F2N2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
432.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F

> <PUBCHEM_CACTVS_TPSA>
92.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
432.09553456

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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  18  8
11  19  8
12  15  8
12  16  8
13  15  8
14  16  8
17  21  8
17  24  8
18  22  8
19  23  8
21  26  8
22  25  8
23  25  8
24  27  8
26  28  8
27  28  8

$$$$