5-[[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]carbamoyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid

Systemtic Name: 5-[[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]carbamoyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid Openeye Name: 5-[[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]carbamoyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid CAS Name: 5-[[2-fluoro-4-(2-methylsulfonylphenyl)anilino]-oxomethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-[[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]carbamoyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid Traditional Name: 5-[[2-fluoro-4-(2-mesylphenyl)phenyl]carbamoyl]-2-pyrazoline-3-carboxylic acid Formula: C18H16FN3O5S MolecularWeight: 405.400143

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3CC(=NN3)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3CC(=NN3)C(=O)O)F

InChI

InChI=1S/C18H16FN3O5S/c1-28(26,27)16-5-3-2-4-11(16)10-6-7-13(12(19)8-10)20-17(23)14-9-15(18(24)25)22-21-14/h2-8,14,21H,9H2,1H3,(H,20,23)(H,24,25)