N-cycloheptyl-2-methyl-1-(4-methylphenyl)-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-cycloheptyl-2-methyl-1-(4-methylphenyl)-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxo-1-(p-tolyl)piperazine-2-carboxamide CAS Name: N-cycloheptyl-2-methyl-1-(4-methylphenyl)-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-cycloheptyl-2-methyl-1-(4-methylphenyl)-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-cycloheptyl-6-keto-4-mesyl-2-methyl-1-(p-tolyl)piperazine-2-carboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4S/c1-16-10-12-18(13-11-16)24-19(25)14-23(29(3,27)28)15-21(24,2)20(26)22-17-8-6-4-5-7-9-17/h10-13,17H,4-9,14-15H2,1-3H3,(H,22,26)