4-chloranyl-N-[3-(4-methoxyphenyl)propyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CCCN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-29-19-11-7-17(8-12-19)5-4-16-25(21-6-2-3-15-24-22(21)26)30(27,28)20-13-9-18(23)10-14-20/h7-14,21H,2-6,15-16H2,1H3,(H,24,26)