28016692
  -OEChem-05102400452D

 57 59  0     0  0  0  0  0  0999 V2000
    7.1962    1.8170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    2.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    3.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    3.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    4.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    4.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2522    4.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0252    3.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252    2.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8722    1.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    2.7610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.2656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 32  1  0  0  0  0
  5 21  1  0  0  0  0
  5 23  1  0  0  0  0
  6 19  2  0  0  0  0
  7  9  1  0  0  0  0
  7 33  1  0  0  0  0
  8 16  1  0  0  0  0
  8 19  1  0  0  0  0
  8 47  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 43  1  0  0  0  0
 15 17  1  0  0  0  0
 15 44  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 24  2  0  0  0  0
 22 26  1  0  0  0  0
 22 48  1  0  0  0  0
 23 25  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 27  1  0  0  0  0
 24 51  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 27  2  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 30  1  0  0  0  0
 28 54  1  0  0  0  0
 29 31  2  0  0  0  0
 29 55  1  0  0  0  0
 30 32  2  0  0  0  0
 30 56  1  0  0  0  0
 31 32  1  0  0  0  0
 31 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
28016692

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
711

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OQBAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwQQQAAADIyh2Aoyx4LABAKIAiVSUHDCCBAlIgAIiBkGbMgMJjbEtZuGOWzm9BHI6YeYyCCOAAAAACAIAAAAAAAAQBAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-(tert-butylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methoxy]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(tert-butylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methoxy]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-(<I>tert</I>-butylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methoxy]benzamide

> <PUBCHEM_IUPAC_NAME>
N-[3-(tert-butylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methoxy]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-(tert-butylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methoxy]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-fluorobenzyl)oxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H25FN2O4S/c1-24(2,3)27-32(29,30)20-8-6-7-19(15-20)26-23(28)21-9-4-5-10-22(21)31-16-17-11-13-18(25)14-12-17/h4-15,27H,16H2,1-3H3,(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
OYTLNGRCUCPUED-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
456.15190662

> <PUBCHEM_MOLECULAR_FORMULA>
C24H25FN2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
456.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F

> <PUBCHEM_CACTVS_TPSA>
92.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
456.15190662

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
13  14  8
13  15  8
14  16  8
15  17  8
16  18  8
17  18  8
20  21  8
20  22  8
21  24  8
22  26  8
24  27  8
25  28  8
25  29  8
26  27  8
28  30  8
29  31  8
30  32  8
31  32  8

$$$$