5-cyclopropyl-1-(2-methylsulfonylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-cyclopropyl-1-(2-methylsulfonylphenyl)pyrazole-4-carboxylic acid Openeye Name: 5-cyclopropyl-1-(2-methylsulfonylphenyl)pyrazole-4-carboxylic acid CAS Name: 5-cyclopropyl-1-(2-methylsulfonylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-cyclopropyl-1-(2-methylsulfonylphenyl)pyrazole-4-carboxylic acid Traditional Name: 5-cyclopropyl-1-(2-mesylphenyl)pyrazole-4-carboxylic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1N2C(=C(C=N2)C(=O)O)C3CC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1N2C(=C(C=N2)C(=O)O)C3CC3

InChI

InChI=1S/C14H14N2O4S/c1-21(19,20)12-5-3-2-4-11(12)16-13(9-6-7-9)10(8-15-16)14(17)18/h2-5,8-9H,6-7H2,1H3,(H,17,18)