1-[3-(3,4-dimethoxyphenyl)-3-(2-methylsulfonylethyl)pyrrolidin-1-yl]-2,2,2-trimethoxy-ethanone

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-3-(2-methylsulfonylethyl)pyrrolidin-1-yl]-2,2,2-trimethoxy-ethanone Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-3-(2-methylsulfonylethyl)pyrrolidin-1-yl]-2,2,2-trimethoxy-ethanone CAS Name: 1-[3-(3,4-dimethoxyphenyl)-3-(2-methylsulfonylethyl)-1-pyrrolidinyl]-2,2,2-trimethoxyethanone IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-3-(2-methylsulfonylethyl)pyrrolidin-1-yl]-2,2,2-trimethoxyethanone Traditional Name: 1-[3-(3,4-dimethoxyphenyl)-3-(2-mesylethyl)pyrrolidino]-2,2,2-trimethoxy-ethanone Formula: C20H31NO8S MolecularWeight: 445.52704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCN(C2)C(=O)C(OC)(OC)OC)CCS(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCN(C2)C(=O)C(OC)(OC)OC)CCS(=O)(=O)C)OC

InChI

InChI=1S/C20H31NO8S/c1-25-16-8-7-15(13-17(16)26-2)19(10-12-30(6,23)24)9-11-21(14-19)18(22)20(27-3,28-4)29-5/h7-8,13H,9-12,14H2,1-6H3