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

Systemtic Name: dimethyl 3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-cyclopent-3-ene-1,1-dicarboxylate Openeye Name: dimethyl 3-(4-methylsulfonylphenyl)-4-(4-pyridyl)cyclopent-3-ene-1,1-dicarboxylate CAS Name: 3-(4-methylsulfonylphenyl)-4-pyridin-4-ylcyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(4-methylsulfonylphenyl)-4-pyridin-4-ylcyclopent-3-ene-1,1-dicarboxylate Traditional Name: 3-(4-mesylphenyl)-4-(4-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=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC(=C(C1)C2=CC=NC=C2)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)12-17(18(13-21)15-8-10-22-11-9-15)14-4-6-16(7-5-14)29(3,25)26/h4-11H,12-13H2,1-3H3