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

Systemtic Name: methyl 3-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 3-[[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 3-[2-(3,4-dimethoxyphenyl)pyrrolidino]sulfonylbenzoic acid methyl ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2S(=O)(=O)C3=CC=CC(=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2S(=O)(=O)C3=CC=CC(=C3)C(=O)OC)OC

InChI

InChI=1S/C20H23NO6S/c1-25-18-10-9-14(13-19(18)26-2)17-8-5-11-21(17)28(23,24)16-7-4-6-15(12-16)20(22)27-3/h4,6-7,9-10,12-13,17H,5,8,11H2,1-3H3