57403793
  -OEChem-05102422292D

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    5.1906    0.7373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2276    1.9133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 26 55  1  0  0  0  0
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 28 60  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
57403793

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
657

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MABAAAAAAAAAAAAAAAAAAAAAAAA8QAAABgAAAAABAAAAHgQQQAAADSjB2AQCAYLAAAKIAgFQEHBCABAgAAAAiJEIAIgIIDKAkBCEIAAglgCIiAcUgMAO0AACgAAUAACgAAUAACgAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperidine-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperidine-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cycloheptyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-isonipecotamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H38N2O3S/c1-16-17(2)19(4)23(20(5)18(16)3)30(28,29)26-14-12-21(13-15-26)24(27)25-22-10-8-6-7-9-11-22/h21-22H,6-15H2,1-5H3,(H,25,27)

> <PUBCHEM_IUPAC_INCHIKEY>
IHMRGNDAMHSEDR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
434.26031425

> <PUBCHEM_MOLECULAR_FORMULA>
C24H38N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
434.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C)C

> <PUBCHEM_CACTVS_TPSA>
74.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
434.26031425

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
20  21  8
20  22  8
21  23  8
22  24  8
23  25  8
24  25  8

$$$$