4-chloranyl-N-[(2,6-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(2,6-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(2,6-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[(2,6-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(2,6-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(2,6-dimethoxybenzyl)-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-28-19-7-5-8-20(29-2)17(19)14-24(18-6-3-4-13-23-21(18)25)30(26,27)16-11-9-15(22)10-12-16/h5,7-12,18H,3-4,6,13-14H2,1-2H3,(H,23,25)