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

Systemtic Name: methyl 1-(4-chlorophenyl)-4-[(2-methoxycarbonylphenyl)sulfonylmethyl]pyrazole-3-carboxylate Openeye Name: methyl 1-(4-chlorophenyl)-4-[(2-methoxycarbonylphenyl)sulfonylmethyl]pyrazole-3-carboxylate CAS Name: 1-(4-chlorophenyl)-4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chlorophenyl)-4-[(2-methoxycarbonylphenyl)sulfonylmethyl]pyrazole-3-carboxylate Traditional Name: 4-[(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=CN(N=C2C(=O)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)CC2=CN(N=C2C(=O)OC)C3=CC=C(C=C3)Cl

InChI

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