methyl 1-phenyl-4-(phenylsulfonylmethyl)pyrazole-3-carboxylate

Systemtic Name: methyl 1-phenyl-4-(phenylsulfonylmethyl)pyrazole-3-carboxylate Openeye Name: methyl 4-(benzenesulfonylmethyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-(benzenesulfonylmethyl)-1-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(benzenesulfonylmethyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 4-(besylmethyl)-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=C1CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NN(C=C1CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O4S/c1-24-18(21)17-14(12-20(19-17)15-8-4-2-5-9-15)13-25(22,23)16-10-6-3-7-11-16/h2-12H,13H2,1H3