dimethyl 3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-cyclopenta-2,4-diene-1,1-dicarboxylate

Systemtic Name: dimethyl 3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-cyclopenta-2,4-diene-1,1-dicarboxylate Openeye Name: dimethyl 3-(4-methylsulfonylphenyl)-4-(4-pyridyl)cyclopenta-2,4-diene-1,1-dicarboxylate CAS Name: 3-(4-methylsulfonylphenyl)-4-pyridin-4-ylcyclopenta-2,4-diene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(4-methylsulfonylphenyl)-4-pyridin-4-ylcyclopenta-2,4-diene-1,1-dicarboxylate Traditional Name: 3-(4-mesylphenyl)-4-(4-pyridyl)cyclopenta-2,4-diene-1,1-dicarboxylic acid dimethyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6S/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/h4-13H,1-3H3