N-(2,4-dimethylpentan-3-yl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(2,4-dimethylpentan-3-yl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(1-isopropyl-2-methyl-propyl)-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2,4-dimethylpentan-3-yl)-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2,4-dimethylpentan-3-yl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(1-isopropyl-2-methyl-propyl)-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C21H34N2O3S MolecularWeight: 394.57126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC(C(C)C)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC(C(C)C)C(C)C

InChI

InChI=1S/C21H34N2O3S/c1-15(2)20(16(3)4)22-21(24)19-9-11-23(12-10-19)27(25,26)14-18-8-6-7-17(5)13-18/h6-8,13,15-16,19-20H,9-12,14H2,1-5H3,(H,22,24)