56593314
  -OEChem-05102423432D

 50 52  0     0  0  0  0  0  0999 V2000
    6.3301    4.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    5.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    5.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 12  1  0  0  0  0
  1 21  1  0  0  0  0
  2 21  1  0  0  0  0
  3 21  1  0  0  0  0
  4 21  1  0  0  0  0
  7 19  2  0  0  0  0
  8 28  1  0  0  0  0
  8 33  1  0  0  0  0
  9 25  2  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 10 36  1  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 34  1  0  0  0  0
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 15 19  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 20 38  1  0  0  0  0
 22 26  1  0  0  0  0
 22 40  1  0  0  0  0
 23 27  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  2  0  0  0  0
 26 27  2  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 44  1  0  0  0  0
 30 32  1  0  0  0  0
 30 45  1  0  0  0  0
 31 32  2  0  0  0  0
 31 46  1  0  0  0  0
 32 47  1  0  0  0  0
 33 48  1  0  0  0  0
 33 49  1  0  0  0  0
 33 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56593314

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
799

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OYBAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwQQAAAADAyB2BIyx4LABAqIAiVSUHDCCAAlKhAIiBkGbMgMJj7k9ZuEMexm9BHI6ceYyCCOAAAAACAKAAAAAAAAQBQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[(2-methoxyphenyl)-oxomethyl]amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[(2-methoxybenzoyl)amino]-<I>N</I>-[3-(trifluoromethylsulfonyl)phenyl]benzamide

> <PUBCHEM_IUPAC_NAME>
2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(2-methoxyphenyl)carbonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(o-anisoylamino)-N-(3-triflylphenyl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H17F3N2O5S/c1-32-19-12-5-3-10-17(19)21(29)27-18-11-4-2-9-16(18)20(28)26-14-7-6-8-15(13-14)33(30,31)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)

> <PUBCHEM_IUPAC_INCHIKEY>
HKYGEYKIJGMDPZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
478.08102731

> <PUBCHEM_MOLECULAR_FORMULA>
C22H17F3N2O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
478.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
478.08102731

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
12  14  8
12  17  8
13  14  8
13  18  8
15  16  8
15  22  8
16  23  8
17  20  8
18  20  8
22  26  8
23  27  8
24  28  8
24  29  8
26  27  8
28  30  8
29  31  8
30  32  8
31  32  8

$$$$