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

Systemtic Name: methyl 4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-1-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-1-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-methoxycarbonylphenyl)sulfonylmethyl]-1-phenylpyrazole-3-carboxylate Traditional Name: 4-[(2-carbomethoxyphenyl)sulfonylmethyl]-1-phenyl-pyrazole-3-carboxylic acid methyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6S/c1-27-19(23)16-10-6-7-11-17(16)29(25,26)13-14-12-22(15-8-4-3-5-9-15)21-18(14)20(24)28-2/h3-12H,13H2,1-2H3