56593312
  -OEChem-04262407412D

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    5.4641   -3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1962    5.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4675   -4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
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  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
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  5 32  1  0  0  0  0
  6 19  1  0  0  0  0
  6 34  1  0  0  0  0
 11 21  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
56593312

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
930

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OYBgAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwQQQAAADAyh2BIyx4LABAqIAiVSUHDCCBAlKhAIiBsGbMgMJjrk9ZuGOazk1BHI6ceYyACOAAAAACACIAAAAAAAQARAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide

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

> <PUBCHEM_IUPAC_NAME>
2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H19F3N2O6S2/c1-2-33-19-12-5-6-13-20(19)35(31,32)27-18-11-4-3-10-17(18)21(28)26-15-8-7-9-16(14-15)34(29,30)22(23,24)25/h3-14,27H,2H2,1H3,(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
GXVNJYCNFDGQPG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
528.06366316

> <PUBCHEM_MOLECULAR_FORMULA>
C22H19F3N2O6S2

> <PUBCHEM_MOLECULAR_WEIGHT>
528.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=CC=C1S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=CC=C1S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
135

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
528.06366316

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <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>
14  16  8
14  22  8
15  19  8
15  23  8
16  24  8
17  20  8
17  25  8
18  20  8
18  26  8
19  27  8
22  29  8
23  31  8
24  30  8
25  28  8
26  28  8
27  33  8
29  30  8
31  33  8

$$$$