8-fluoranyl-1-[[6-(3-methylsulfonylphenyl)pyridazin-3-yl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-1-[[6-(3-methylsulfonylphenyl)pyridazin-3-yl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-fluoro-1-[[6-(3-methylsulfonylphenyl)pyridazin-3-yl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-fluoro-1-[[6-(3-methylsulfonylphenyl)-3-pyridazinyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-1-[[6-(3-methylsulfonylphenyl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-fluoro-4-keto-1-[[6-(3-mesylphenyl)pyridazin-3-yl]methyl]quinoline-3-carboxylic acid Formula: C22H16FN3O5S MolecularWeight: 453.442943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=NN=C(C=C2)CN3C=C(C(=O)C4=C3C(=CC=C4)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=NN=C(C=C2)CN3C=C(C(=O)C4=C3C(=CC=C4)F)C(=O)O

InChI

InChI=1S/C22H16FN3O5S/c1-32(30,31)15-5-2-4-13(10-15)19-9-8-14(24-25-19)11-26-12-17(22(28)29)21(27)16-6-3-7-18(23)20(16)26/h2-10,12H,11H2,1H3,(H,28,29)