70680664
  -OEChem-04192418082D

 52 54  0     0  0  0  0  0  0999 V2000
    3.0000    3.5546    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.9842    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6865   -3.8113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.5546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0878   -2.7932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.5546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090   -1.0332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2688   -4.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9598   -5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2688   -4.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7688   -6.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5778   -5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6810   -3.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    5.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    5.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    2.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910   -1.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    6.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    6.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6565   -4.6128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3934   -5.2147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498   -6.0038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8753   -4.3869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2040   -3.8992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540   -6.5154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1837   -6.5154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8878   -6.0038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1443   -5.2147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044   -2.7284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234    5.1623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    4.4720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    4.4720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    5.1623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    2.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.7446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    0.7446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    6.0546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    6.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5140    6.0546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    6.0546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    6.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460    6.0546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6013   -0.8416    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 16  1  0  0  0  0
  2 15  1  0  0  0  0
  2 25  1  0  0  0  0
  3 14  2  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 37  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 15  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 26  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 27  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 23  1  0  0  0  0
 21 42  1  0  0  0  0
 22 24  2  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 52  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70680664

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
590

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABgAAAAAAAAAAAAAAAAAeIAAAAwAAAAAAAAAAABwAAAHgQQQAAADQjF3gSzkZLIEAqsAyVydHDC8LlhCjkJiD04JJiIILKgmRGEIAhokQKIiCcYiIAOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-[4-(diethylsulfamoyl)phenyl]thiazol-2-yl]cyclopentanecarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[4-(diethylsulfamoyl)phenyl]-2-thiazolyl]cyclopentanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-[4-(diethylsulfamoyl)phenyl]thiazol-2-yl]cyclopentanecarboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H25N3O3S2/c1-3-22(4-2)27(24,25)16-11-9-14(10-12-16)17-13-26-19(20-17)21-18(23)15-7-5-6-8-15/h9-13,15H,3-8H2,1-2H3,(H,20,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
ZAPJZEQWCWYIPF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
407.13373402

> <PUBCHEM_MOLECULAR_FORMULA>
C19H25N3O3S2

> <PUBCHEM_MOLECULAR_WEIGHT>
407.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCC3

> <PUBCHEM_CACTVS_TPSA>
116

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
407.13373402

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  21  8
16  22  8
19  25  8
2  15  8
2  25  8
20  23  8
20  24  8
21  23  8
22  24  8
8  15  8
8  19  8

$$$$