652627
  -OEChem-05042410302D

 46 48  0     0  0  0  0  0  0999 V2000
    3.6750    1.2694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -4.8184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750    1.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750    1.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -3.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -3.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    5.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -4.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -5.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -5.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0041    3.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6192    3.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0177    4.3771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0645    4.3771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4630    3.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0177    5.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6192    5.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4630    5.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0645    5.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9396    6.2444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1425    6.2444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7531    2.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1516    2.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381    2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780    0.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    0.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780   -1.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721   -1.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721   -2.9206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734   -6.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446   -6.2710    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  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  5 22  2  0  0  0  0
  6 15  1  0  0  0  0
  6 39  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 44  1  0  0  0  0
  8 23  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 40  1  0  0  0  0
 18 20  2  0  0  0  0
 18 41  1  0  0  0  0
 19 21  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  2  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
652627

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
536

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABgAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABwAAAHgQQQAAADQDF2gS9kZLIEAqsAjF3dHDC8Ll1CjlJyJ0YJMiIIDKAnRGEIQhokQIIiacYiACOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(cyclohexylmethylsulfamoyl)-N-thiazol-2-yl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-(cyclohexylmethylsulfamoyl)-N-(2-thiazolyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(cyclohexylmethylsulfamoyl)-<I>N</I>-(1,3-thiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_NAME>
4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(cyclohexylmethylsulfamoyl)-N-thiazol-2-yl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H21N3O3S2/c21-16(20-17-18-10-11-24-17)14-6-8-15(9-7-14)25(22,23)19-12-13-4-2-1-3-5-13/h6-11,13,19H,1-5,12H2,(H,18,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
QFQOHPYLCCJBDK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
379.10243389

> <PUBCHEM_MOLECULAR_FORMULA>
C17H21N3O3S2

> <PUBCHEM_MOLECULAR_WEIGHT>
379.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC=CS3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC=CS3

> <PUBCHEM_CACTVS_TPSA>
125

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
379.10243389

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
16  17  8
16  18  8
17  19  8
18  20  8
19  21  8
2  23  8
2  24  8
20  21  8
24  25  8
8  23  8
8  25  8

$$$$