N-[2-(azepan-1-ylcarbonyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O4S/c1-21-9-8-10-22(19-21)20-35(33,34)30-17-13-23(14-18-30)26(31)28-25-12-5-4-11-24(25)27(32)29-15-6-2-3-7-16-29/h4-5,8-12,19,23H,2-3,6-7,13-18,20H2,1H3,(H,28,31)