N-cycloheptyl-1-(3,5-dimethylphenyl)-2-methyl-6-oxidanylidene-4-(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: N-cycloheptyl-1-(3,5-dimethylphenyl)-2-methyl-6-oxidanylidene-4-(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-cycloheptyl-1-(3,5-dimethylphenyl)-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: 4-(benzenesulfonyl)-N-cycloheptyl-1-(3,5-dimethylphenyl)-2-methyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-cycloheptyl-1-(3,5-dimethylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: 4-besyl-N-cycloheptyl-1-(3,5-dimethylphenyl)-6-keto-2-methyl-piperazine-2-carboxamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)CN(CC2(C)C(=O)NC3CCCCCC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)CN(CC2(C)C(=O)NC3CCCCCC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H35N3O4S/c1-20-15-21(2)17-23(16-20)30-25(31)18-29(35(33,34)24-13-9-6-10-14-24)19-27(30,3)26(32)28-22-11-7-4-5-8-12-22/h6,9-10,13-17,22H,4-5,7-8,11-12,18-19H2,1-3H3,(H,28,32)