1-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-[(4-ethoxyphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-(4-ethoxybenzyl)nipecotamide Formula: C21H33N3O4S MolecularWeight: 423.56942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-2-28-20-11-9-18(10-12-20)16-22-21(25)19-8-7-15-24(17-19)29(26,27)23-13-5-3-4-6-14-23/h9-12,19H,2-8,13-17H2,1H3,(H,22,25)