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

Systemtic Name: methyl 4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate Openeye Name: methyl 4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate CAS Name: 4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-1-(4-methoxyphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate Traditional Name: 4-[(2-carbomethoxyphenyl)sulfonylmethyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)OC)CS(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)OC)CS(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H20N2O7S/c1-28-16-10-8-15(9-11-16)23-12-14(19(22-23)21(25)30-3)13-31(26,27)18-7-5-4-6-17(18)20(24)29-2/h4-12H,13H2,1-3H3