dimethyl 3-[3-(4-methylsulfonylphenyl)pyridin-2-yl]cyclopent-3-ene-1,1-dicarboxylate

Systemtic Name: dimethyl 3-[3-(4-methylsulfonylphenyl)pyridin-2-yl]cyclopent-3-ene-1,1-dicarboxylate Openeye Name: dimethyl 3-[3-(4-methylsulfonylphenyl)-2-pyridyl]cyclopent-3-ene-1,1-dicarboxylate CAS Name: 3-[3-(4-methylsulfonylphenyl)-2-pyridinyl]cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[3-(4-methylsulfonylphenyl)pyridin-2-yl]cyclopent-3-ene-1,1-dicarboxylate Traditional Name: 3-[3-(4-mesylphenyl)-2-pyridyl]cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC=C(C1)C2=C(C=CC=N2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC=C(C1)C2=C(C=CC=N2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C21H21NO6S/c1-27-19(23)21(20(24)28-2)11-10-15(13-21)18-17(5-4-12-22-18)14-6-8-16(9-7-14)29(3,25)26/h4-10,12H,11,13H2,1-3H3