methyl 1-(2,5-dimethylphenyl)-5-[(2-methoxycarbonylphenyl)sulfonylmethyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-(2,5-dimethylphenyl)-5-[(2-methoxycarbonylphenyl)sulfonylmethyl]pyrazole-3-carboxylate Openeye Name: methyl 1-(2,5-dimethylphenyl)-5-[(2-methoxycarbonylphenyl)sulfonylmethyl]pyrazole-3-carboxylate CAS Name: 1-(2,5-dimethylphenyl)-5-[(2-methoxycarbonylphenyl)sulfonylmethyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2,5-dimethylphenyl)-5-[(2-methoxycarbonylphenyl)sulfonylmethyl]pyrazole-3-carboxylate Traditional Name: 5-[(2-carbomethoxyphenyl)sulfonylmethyl]-1-(2,5-dimethylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6S/c1-14-9-10-15(2)19(11-14)24-16(12-18(23-24)22(26)30-4)13-31(27,28)20-8-6-5-7-17(20)21(25)29-3/h5-12H,13H2,1-4H3