5-[(4-fluorophenyl)methylsulfonylamino]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(4-fluorophenyl)methylsulfonylamino]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(4-fluorophenyl)methylsulfonylamino]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(4-fluorophenyl)methylsulfonylamino]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(4-fluorophenyl)methylsulfonylamino]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(4-fluorobenzyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid Formula: C12H12FN3O4S MolecularWeight: 313.304783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)NS(=O)(=O)CC2=CC=C(C=C2)F

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)NS(=O)(=O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C12H12FN3O4S/c1-16-11(10(6-14-16)12(17)18)15-21(19,20)7-8-2-4-9(13)5-3-8/h2-6,15H,7H2,1H3,(H,17,18)