3-(azepan-1-ylcarbonyl)-N-[3-(dimethylamino)propyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-[3-(dimethylamino)propyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]-4-methoxy-benzenesulfonamide Formula: C19H31N3O4S MolecularWeight: 397.53214

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N2CCCCCC2

Isomeric SMILES

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)N2CCCCCC2

InChI

InChI=1S/C19H31N3O4S/c1-21(2)12-8-11-20-27(24,25)16-9-10-18(26-3)17(15-16)19(23)22-13-6-4-5-7-14-22/h9-10,15,20H,4-8,11-14H2,1-3H3