methyl 5-methyl-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 5-methyl-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 5-methyl-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 5-methyl-1-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(4-mesylphenyl)-5-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C13H14N2O4S/c1-9-8-12(13(16)19-2)14-15(9)10-4-6-11(7-5-10)20(3,17)18/h4-8H,1-3H3