51198520
  -OEChem-04262411042D

 39 40  0     0  0  0  0  0  0999 V2000
    2.8660   -2.8170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -3.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -1.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -0.2801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.4930    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  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2 24  1  0  0  0  0
  3 24  1  0  0  0  0
  6 19  1  0  0  0  0
  6 24  1  0  0  0  0
  7 17  2  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  2  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51198520

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
535

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6OYBAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwQQAAAADAyB2BKyx4LABAqIAiVSUHDCCAAlKhAIiBkGbMgMJjbktZuEMWxm9BHI6YeYyCCOEAAAACAKAAAgAAAAQBQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(difluoromethoxy)-N-(2-methyl-5-methylsulfonyl-phenyl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(difluoromethoxy)-N-(2-methyl-5-methylsulfonylphenyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(difluoromethoxy)-<I>N</I>-(2-methyl-5-methylsulfonylphenyl)benzamide

> <PUBCHEM_IUPAC_NAME>
2-(difluoromethoxy)-N-(2-methyl-5-methylsulfonylphenyl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[bis(fluoranyl)methoxy]-N-(2-methyl-5-methylsulfonyl-phenyl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(difluoromethoxy)-N-(5-mesyl-2-methyl-phenyl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H15F2NO4S/c1-10-7-8-11(24(2,21)22)9-13(10)19-15(20)12-5-3-4-6-14(12)23-16(17)18/h3-9,16H,1-2H3,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
HJWFFRDKJHMYPM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
355.06898546

> <PUBCHEM_MOLECULAR_FORMULA>
C16H15F2NO4S

> <PUBCHEM_MOLECULAR_WEIGHT>
355.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=CC=C2OC(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=CC=C2OC(F)F

> <PUBCHEM_CACTVS_TPSA>
80.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
355.06898546

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  12  8
11  14  8
13  14  8
18  19  8
18  20  8
19  21  8
20  22  8
21  23  8
22  23  8
9  12  8
9  13  8

$$$$