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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-ethanoyl-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-acetyl-N-(2-ketoazepan-3-yl)-N-veratryl-benzenesulfonamide Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCCCNC3=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCCCNC3=O

InChI

InChI=1S/C23H28N2O6S/c1-16(26)18-8-10-19(11-9-18)32(28,29)25(20-6-4-5-13-24-23(20)27)15-17-7-12-21(30-2)22(14-17)31-3/h7-12,14,20H,4-6,13,15H2,1-3H3,(H,24,27)