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

Systemtic Name: methyl 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylsulfonylphenyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 5-(4-mesylphenyl)-1-phenyl-pyrazole-3-carboxylic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O4S/c1-24-18(21)16-12-17(20(19-16)14-6-4-3-5-7-14)13-8-10-15(11-9-13)25(2,22)23/h3-12H,1-2H3