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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: N-(2-ketoazepan-3-yl)-4-methoxy-N-veratryl-benzenesulfonamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCCCNC3=O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OC)C3CCCCNC3=O

InChI

InChI=1S/C22H28N2O6S/c1-28-17-8-10-18(11-9-17)31(26,27)24(19-6-4-5-13-23-22(19)25)15-16-7-12-20(29-2)21(14-16)30-3/h7-12,14,19H,4-6,13,15H2,1-3H3,(H,23,25)