methyl 3-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-benzoate Openeye Name: methyl 3-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-benzoate CAS Name: 3-[[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]sulfonyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methylbenzoate Traditional Name: 3-[2-(3,4-dimethoxyphenyl)pyrrolidino]sulfonyl-4-methyl-benzoic acid methyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-14-7-8-16(21(23)28-4)13-20(14)29(24,25)22-11-5-6-17(22)15-9-10-18(26-2)19(12-15)27-3/h7-10,12-13,17H,5-6,11H2,1-4H3