26898835
  -OEChem-04192420492D

 46 48  0     0  0  0  0  0  0999 V2000
    8.9282    3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9282    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5000    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
    8.0622   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    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
    7.1962   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.0000    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
    8.9282   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.0000    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
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    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
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 10  1  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  1  0  0  0  0
  4 30  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  1  0  0  0  0
  8 18  2  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  2  0  0  0  0
 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 23  2  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  2  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 28  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 30  2  0  0  0  0
 28 45  1  0  0  0  0
 29 30  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
26898835

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
654

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OYBAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwQQAAAADAyh2Bqwx4LABAqIAiVSUHDCCAAlKhAIiBkGbMgMJjbktZuGOWjm9BHI6YeYyCCOAAQAAAAIAAAACAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-fluorophenyl)methoxy]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-fluorophenyl)methoxy]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-fluorophenyl)methoxy]benzamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-fluorophenyl)methoxy]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-2-[(4-fluorophenyl)methoxy]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(difluoromethylsulfonyl)phenyl]-2-(4-fluorobenzyl)oxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H16F3NO4S/c22-15-7-5-14(6-8-15)13-29-19-4-2-1-3-18(19)20(26)25-16-9-11-17(12-10-16)30(27,28)21(23)24/h1-12,21H,13H2,(H,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
UQQALIYLNXKEJQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
435.07521365

> <PUBCHEM_MOLECULAR_FORMULA>
C21H16F3NO4S

> <PUBCHEM_MOLECULAR_WEIGHT>
435.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C(F)F)OCC3=CC=C(C=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C(F)F)OCC3=CC=C(C=C3)F

> <PUBCHEM_CACTVS_TPSA>
80.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
435.07521365

> <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  12  8
10  13  8
11  15  8
11  16  8
12  15  8
13  16  8
14  17  8
14  22  8
17  23  8
21  26  8
21  27  8
22  24  8
23  25  8
24  25  8
26  28  8
27  29  8
28  30  8
29  30  8

$$$$