5-[(3-chloranyl-2-fluoranyl-phenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(3-chloranyl-2-fluoranyl-phenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(3-chloro-2-fluoro-phenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(3-chloro-2-fluorophenyl)sulfonylamino]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(3-chloro-2-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(3-chloro-2-fluoro-phenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid Formula: C11H9ClFN3O4S MolecularWeight: 333.723263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)NS(=O)(=O)C2=C(C(=CC=C2)Cl)F

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)NS(=O)(=O)C2=C(C(=CC=C2)Cl)F

InChI

InChI=1S/C11H9ClFN3O4S/c1-16-10(6(5-14-16)11(17)18)15-21(19,20)8-4-2-3-7(12)9(8)13/h2-5,15H,1H3,(H,17,18)