N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-methoxy-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-methoxy-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-methoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-methoxybenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-methoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-methoxy-benzenesulfonamide Formula: C20H29N3O3S MolecularWeight: 391.52756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNS(=O)(=O)C2=CC=CC(=C2)OC)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNS(=O)(=O)C2=CC=CC(=C2)OC)N3CCCCCC3

InChI

InChI=1S/C20H29N3O3S/c1-22-12-8-11-19(22)20(23-13-5-3-4-6-14-23)16-21-27(24,25)18-10-7-9-17(15-18)26-2/h7-12,15,20-21H,3-6,13-14,16H2,1-2H3