1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidino]-3-tosyl-propan-1-one Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCCC2C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCCC2C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27NO5S/c1-16-6-9-18(10-7-16)29(25,26)14-12-22(24)23-13-4-5-19(23)17-8-11-20(27-2)21(15-17)28-3/h6-11,15,19H,4-5,12-14H2,1-3H3