1-(2-chloranyl-4-methylsulfonyl-phenyl)-5-cyclopropyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-chloranyl-4-methylsulfonyl-phenyl)-5-cyclopropyl-pyrazole-4-carboxylic acid Openeye Name: 1-(2-chloro-4-methylsulfonyl-phenyl)-5-cyclopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(2-chloro-4-methylsulfonylphenyl)-5-cyclopropyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-chloro-4-methylsulfonylphenyl)-5-cyclopropylpyrazole-4-carboxylic acid Traditional Name: 1-(2-chloro-4-mesyl-phenyl)-5-cyclopropyl-pyrazole-4-carboxylic acid Formula: C14H13ClN2O4S MolecularWeight: 340.78202

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2C(=C(C=N2)C(=O)O)C3CC3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2C(=C(C=N2)C(=O)O)C3CC3)Cl

InChI

InChI=1S/C14H13ClN2O4S/c1-22(20,21)9-4-5-12(11(15)6-9)17-13(8-2-3-8)10(7-16-17)14(18)19/h4-8H,2-3H2,1H3,(H,18,19)