1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(1-methylsulfonyl-4-piperidyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(1-methylsulfonyl-4-piperidinyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-homoveratryl-5-keto-N-(1-mesyl-4-piperidyl)pyrrolidine-3-carboxamide Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3CCN(CC3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3CCN(CC3)S(=O)(=O)C)OC

InChI

InChI=1S/C21H31N3O6S/c1-29-18-5-4-15(12-19(18)30-2)6-9-23-14-16(13-20(23)25)21(26)22-17-7-10-24(11-8-17)31(3,27)28/h4-5,12,16-17H,6-11,13-14H2,1-3H3,(H,22,26)