methyl 4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-1-(4-methylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-1-(4-methylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-1-(p-tolyl)pyrazole-3-carboxylate CAS Name: 4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-1-(4-methylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-1-(4-methylphenyl)pyrazole-3-carboxylate Traditional Name: 4-[(2-carbomethoxyphenyl)sulfonylmethyl]-1-(p-tolyl)pyrazole-3-carboxylic acid methyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)OC)CS(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)OC)CS(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H20N2O6S/c1-14-8-10-16(11-9-14)23-12-15(19(22-23)21(25)29-3)13-30(26,27)18-7-5-4-6-17(18)20(24)28-2/h4-12H,13H2,1-3H3