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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: N-(2-ketoazepan-3-yl)-N-veratryl-benzenesulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-27-19-12-11-16(14-20(19)28-2)15-23(18-10-6-7-13-22-21(18)24)29(25,26)17-8-4-3-5-9-17/h3-5,8-9,11-12,14,18H,6-7,10,13,15H2,1-2H3,(H,22,24)