N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-oxidanylidenepyrrolidin-3-yl)benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-oxidanylidenepyrrolidin-3-yl)benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-oxo-3-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide Traditional Name: N-homoveratryl-4-(5-ketopyrrolidin-3-yl)benzenesulfonamide Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)C3CC(=O)NC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)C3CC(=O)NC3)OC

InChI

InChI=1S/C20H24N2O5S/c1-26-18-8-3-14(11-19(18)27-2)9-10-22-28(24,25)17-6-4-15(5-7-17)16-12-20(23)21-13-16/h3-8,11,16,22H,9-10,12-13H2,1-2H3,(H,21,23)