70789353
  -OEChem-04252422352D

 50 53  0     0  0  0  0  0  0999 V2000
   10.8964    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617    0.2445    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7624   -2.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3964    1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3964   -0.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527   -1.1567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7624    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7624    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6284    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4944    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6284    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4944    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3605    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -0.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836    0.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -1.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -1.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4934    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2255    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6284    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4333   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6274   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6284    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0314    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705    2.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8974    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0505    3.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314    1.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    0.8573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -1.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    0.6880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -2.1026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -0.7920    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  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 24  1  0  0  0  0
  2 27  1  0  0  0  0
  3 21  1  0  0  0  0
  6 20  2  0  0  0  0
  7 11  1  0  0  0  0
  7 33  1  0  0  0  0
  8 20  1  0  0  0  0
  8 24  1  0  0  0  0
  8 41  1  0  0  0  0
  9 24  2  0  0  0  0
  9 25  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 13 34  1  0  0  0  0
 14 18  2  0  0  0  0
 14 35  1  0  0  0  0
 15 21  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 22  2  0  0  0  0
 19 37  1  0  0  0  0
 21 22  1  0  0  0  0
 22 40  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 45  1  0  0  0  0
 28 30  1  0  0  0  0
 28 46  1  0  0  0  0
 29 31  2  0  0  0  0
 29 47  1  0  0  0  0
 30 32  2  0  0  0  0
 30 48  1  0  0  0  0
 31 32  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70789353

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
733

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQBgAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAAAB1AAAHwQQQAAADAiF3giz0ZLIEAqsAyVydHDC8LllCjkJiD0wZNiIILqg3ZGEIYhokQIIyecYiICOEAAAAAACAAAgAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-fluoro-N-(4-phenylthiazol-2-yl)-2-(p-tolylsulfonylamino)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-fluoro-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-2-thiazolyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-fluoro-2-[(4-methylphenyl)sulfonylamino]-<I>N</I>-(4-phenyl-1,3-thiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_NAME>
4-fluoro-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-fluoranyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-fluoro-N-(4-phenylthiazol-2-yl)-2-(tosylamino)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H18FN3O3S2/c1-15-7-10-18(11-8-15)32(29,30)27-20-13-17(24)9-12-19(20)22(28)26-23-25-21(14-31-23)16-5-3-2-4-6-16/h2-14,27H,1H3,(H,25,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
HHMGHMLVVXHNKQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
467.07736195

> <PUBCHEM_MOLECULAR_FORMULA>
C23H18FN3O3S2

> <PUBCHEM_MOLECULAR_WEIGHT>
467.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)F)C(=O)NC3=NC(=CS3)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)F)C(=O)NC3=NC(=CS3)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
125

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
467.07736195

> <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>
10  13  8
10  14  8
11  12  8
11  15  8
12  19  8
13  17  8
14  18  8
15  21  8
16  17  8
16  18  8
19  22  8
2  24  8
2  27  8
21  22  8
25  27  8
26  28  8
26  29  8
28  30  8
29  31  8
30  32  8
31  32  8
9  24  8
9  25  8

$$$$