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

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-[(3-methoxyphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-m-anisyl-nipecotamide Formula: C20H31N3O4S MolecularWeight: 409.54284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O4S/c1-27-19-10-6-8-17(14-19)15-21-20(24)18-9-7-13-23(16-18)28(25,26)22-11-4-2-3-5-12-22/h6,8,10,14,18H,2-5,7,9,11-13,15-16H2,1H3,(H,21,24)