N-[2-(azepan-1-yl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-1-tosyl-isonipecotamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCCCC4

InChI

InChI=1S/C25H33N3O3S/c1-20-10-12-22(13-11-20)32(30,31)28-18-14-21(15-19-28)25(29)26-23-8-4-5-9-24(23)27-16-6-2-3-7-17-27/h4-5,8-13,21H,2-3,6-7,14-19H2,1H3,(H,26,29)