N-(2-methylcyclohexyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide

Systemtic Name: N-(2-methylcyclohexyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)-4-oxo-butanamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-N-(2-methylcyclohexyl)-4-oxobutanamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylcyclohexyl)-4-oxobutanamide Traditional Name: 4-(4-besylpiperazino)-4-keto-N-(2-methylcyclohexyl)butyramide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1CCCCC1NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O4S/c1-17-7-5-6-10-19(17)22-20(25)11-12-21(26)23-13-15-24(16-14-23)29(27,28)18-8-3-2-4-9-18/h2-4,8-9,17,19H,5-7,10-16H2,1H3,(H,22,25)