4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-(4-phenoxybutyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-(4-phenoxybutyl)benzenesulfonamide Openeye Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-(4-phenoxybutyl)benzenesulfonamide CAS Name: 4-chloro-N-(2-oxo-3-azepanyl)-N-(4-phenoxybutyl)benzenesulfonamide IUPAC Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-(4-phenoxybutyl)benzenesulfonamide Traditional Name: 4-chloro-N-(2-ketoazepan-3-yl)-N-(4-phenoxybutyl)benzenesulfonamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CCCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N(CCCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O4S/c23-18-11-13-20(14-12-18)30(27,28)25(21-10-4-5-15-24-22(21)26)16-6-7-17-29-19-8-2-1-3-9-19/h1-3,8-9,11-14,21H,4-7,10,15-17H2,(H,24,26)