methyl 1-(4-chlorophenyl)-5-[(2-methoxycarbonylphenyl)sulfonylmethyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-(4-chlorophenyl)-5-[(2-methoxycarbonylphenyl)sulfonylmethyl]pyrazole-3-carboxylate Openeye Name: methyl 1-(4-chlorophenyl)-5-[(2-methoxycarbonylphenyl)sulfonylmethyl]pyrazole-3-carboxylate CAS Name: 1-(4-chlorophenyl)-5-[(2-methoxycarbonylphenyl)sulfonylmethyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chlorophenyl)-5-[(2-methoxycarbonylphenyl)sulfonylmethyl]pyrazole-3-carboxylate Traditional Name: 5-[(2-carbomethoxyphenyl)sulfonylmethyl]-1-(4-chlorophenyl)pyrazole-3-carboxylic acid methyl ester Formula: C20H17ClN2O6S MolecularWeight: 448.87678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)CC2=CC(=NN2C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)CC2=CC(=NN2C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H17ClN2O6S/c1-28-19(24)16-5-3-4-6-18(16)30(26,27)12-15-11-17(20(25)29-2)22-23(15)14-9-7-13(21)8-10-14/h3-11H,12H2,1-2H3