70680659
  -OEChem-04232421412D

 50 53  0     0  0  0  0  0  0999 V2000
    3.0000    2.5325    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.0064    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6865   -4.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.5325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0878   -3.8154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090   -2.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2688   -5.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3734   -6.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1824   -5.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    5.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    5.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    4.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    4.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6810   -4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    6.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910   -2.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900   -5.7601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7774   -6.7034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6452   -7.0897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6284   -6.3754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5291   -5.4307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    5.8425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    4.9248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    5.6151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    5.6151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234    4.9248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    3.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    4.1401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234    4.1401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    3.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    6.5325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    7.1525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800    6.5325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044   -3.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.3425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    1.3425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.2775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.2775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6013   -1.8637    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 19  1  0  0  0  0
  2 22  1  0  0  0  0
  2 27  1  0  0  0  0
  5 17  2  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 22  1  0  0  0  0
  7 45  1  0  0  0  0
  8 22  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  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 14  1  0  0  0  0
 12 18  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 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 24  1  0  0  0  0
 20 46  1  0  0  0  0
 21 25  2  0  0  0  0
 21 47  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  2  0  0  0  0
 27 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70680659

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
631

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABgAAAAAAAAAAAAGAAAAWAAAAA8QAAAAAAAAAABwAAAHgQQQAAADQjF3gSzkZLIEAqsAyVydHDC8LlhCjkJiD04JJiIILKgmRGEIAhokQKIiCcQgIAOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]thiazol-2-yl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-2-thiazolyl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-[4-(4-methylpiperidino)sulfonylphenyl]thiazol-2-yl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H23N3O3S2/c1-13-8-10-22(11-9-13)27(24,25)16-6-4-14(5-7-16)17-12-26-19(20-17)21-18(23)15-2-3-15/h4-7,12-13,15H,2-3,8-11H2,1H3,(H,20,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
LFUBATTVJLWLEX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
405.11808395

> <PUBCHEM_MOLECULAR_FORMULA>
C19H23N3O3S2

> <PUBCHEM_MOLECULAR_WEIGHT>
405.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4CC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4CC4

> <PUBCHEM_CACTVS_TPSA>
116

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
405.11808395

> <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>
19  20  8
19  21  8
2  22  8
2  27  8
20  24  8
21  25  8
23  24  8
23  25  8
26  27  8
8  22  8
8  26  8

$$$$