1-(azepan-1-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-(o-tolylmethyl)piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-[(2-methylphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-(2-methylbenzyl)nipecotamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-17-9-4-5-10-18(17)15-21-20(24)19-11-8-14-23(16-19)27(25,26)22-12-6-2-3-7-13-22/h4-5,9-10,19H,2-3,6-8,11-16H2,1H3,(H,21,24)