2-(4-methylphenyl)sulfonyl-4-(phenylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-4-(phenylmethyl)pyrazole-3-carboxylic acid Openeye Name: 4-benzyl-2-(p-tolylsulfonyl)pyrazole-3-carboxylic acid CAS Name: 2-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-benzyl-2-(4-methylphenyl)sulfonylpyrazole-3-carboxylic acid Traditional Name: 4-benzyl-2-tosyl-pyrazole-3-carboxylic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C=N2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C=N2)CC3=CC=CC=C3)C(=O)O

InChI

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