4-chloranyl-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(2,4-dimethoxybenzyl)-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-28-17-9-6-15(20(13-17)29-2)14-24(19-5-3-4-12-23-21(19)25)30(26,27)18-10-7-16(22)8-11-18/h6-11,13,19H,3-5,12,14H2,1-2H3,(H,23,25)