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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: N-(2-ketoazepan-3-yl)-3-methyl-N-veratryl-benzenesulfonamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCCCNC3=O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCCCNC3=O

InChI

InChI=1S/C22H28N2O5S/c1-16-7-6-8-18(13-16)30(26,27)24(19-9-4-5-12-23-22(19)25)15-17-10-11-20(28-2)21(14-17)29-3/h6-8,10-11,13-14,19H,4-5,9,12,15H2,1-3H3,(H,23,25)