70789827
  -OEChem-05102418272D

 54 55  0     0  0  0  0  0  0999 V2000
    3.0000    4.5078    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.0311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.5078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.5078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6865   -2.8582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.5078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0878   -1.8401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090   -0.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    6.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    6.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621   -4.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4499   -5.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2688   -3.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0432   -6.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    3.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    7.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    7.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    2.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6810   -2.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6309   -7.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910   -0.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    5.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    6.1154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234    6.1154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    5.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -4.1295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4314   -4.9222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9639   -5.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8806   -4.8392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7828   -3.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6995   -3.1167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5291   -5.8521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -6.6448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    3.3178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.3178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    7.0078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    7.6278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460    7.0078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    7.0078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    7.6278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5140    7.0078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    1.6978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.6978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1293   -7.3722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9954   -7.5094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1325   -6.6434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044   -1.7753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6013    0.1116    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 11  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  5 23  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 26  1  0  0  0  0
  7 53  1  0  0  0  0
  8 24  1  0  0  0  0
  8 26  2  0  0  0  0
  9 19  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 20  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 23  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 25  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 21  1  0  0  0  0
 16 40  1  0  0  0  0
 17 22  2  0  0  0  0
 17 41  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 24  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 24 27  2  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 27 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70789827

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
553

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABgAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgQQQAAADAjF3gSzkZLIEAqsAyVydHDC8LlhCjkJiD04JJiIILKgmRGEIAhokQKIiCcYiIAOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H27N3O3S2/c1-4-7-8-9-18(23)21-19-20-17(14-26-19)15-10-12-16(13-11-15)27(24,25)22(5-2)6-3/h10-14H,4-9H2,1-3H3,(H,20,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
XOGJVAARLHCNEE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
409.14938408

> <PUBCHEM_MOLECULAR_FORMULA>
C19H27N3O3S2

> <PUBCHEM_MOLECULAR_WEIGHT>
409.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC

> <PUBCHEM_CACTVS_TPSA>
116

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
409.14938408

> <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>
11  16  8
11  17  8
16  21  8
17  22  8
18  21  8
18  22  8
2  26  8
2  27  8
24  27  8
8  24  8
8  26  8

$$$$