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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CCCOCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N(CCCOCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

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