diethyl 1-(4-methylsulfonylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate

Systemtic Name: diethyl 1-(4-methylsulfonylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate Openeye Name: diethyl 1-(4-methylsulfonylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate CAS Name: 1-(4-methylsulfonylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(4-methylsulfonylphenyl)-5-phenylpyrazole-3,4-dicarboxylate Traditional Name: 1-(4-mesylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid diethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)OCC)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)OCC)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O6S/c1-4-29-21(25)18-19(22(26)30-5-2)23-24(20(18)15-9-7-6-8-10-15)16-11-13-17(14-12-16)31(3,27)28/h6-14H,4-5H2,1-3H3