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

Systemtic Name: 5-[(2-fluoranyl-5-methyl-phenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(2-fluoro-5-methyl-phenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(2-fluoro-5-methyl-phenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid Formula: C12H12FN3O4S MolecularWeight: 313.304783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)S(=O)(=O)NC2=C(C=NN2C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)F)S(=O)(=O)NC2=C(C=NN2C)C(=O)O

InChI

InChI=1S/C12H12FN3O4S/c1-7-3-4-9(13)10(5-7)21(19,20)15-11-8(12(17)18)6-14-16(11)2/h3-6,15H,1-2H3,(H,17,18)