5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-methylsulfonylphenyl)-1-phenylpyrazole-3-carboxylic acid Traditional Name: 5-(4-mesylphenyl)-1-phenyl-pyrazole-3-carboxylic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H14N2O4S/c1-24(22,23)14-9-7-12(8-10-14)16-11-15(17(20)21)18-19(16)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)