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

Systemtic Name: methyl 5-(4-methylsulfonylphenyl)-1-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: methyl 1-benzyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 5-(4-methylsulfonylphenyl)-1-(phenylmethyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 1-benzyl-5-(4-mesylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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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)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4S/c1-25-19(22)17-12-18(15-8-10-16(11-9-15)26(2,23)24)21(20-17)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3