dimethyl 5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(3-pyridyl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate CAS Name: 5-[[2-(3-pyridinyl)-1-pyrrolidinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[2-(3-pyridyl)pyrrolidino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC2C3=CN=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC2C3=CN=CC=C3)C(=O)OC

InChI

InChI=1S/C19H20N2O6S/c1-26-18(22)14-9-15(19(23)27-2)11-16(10-14)28(24,25)21-8-4-6-17(21)13-5-3-7-20-12-13/h3,5,7,9-12,17H,4,6,8H2,1-2H3