5-fluoranyl-1-[(4-methylsulfonylphenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-fluoranyl-1-[(4-methylsulfonylphenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-fluoro-1-[(4-methylsulfonylphenyl)methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-fluoro-1-[(4-methylsulfonylphenyl)methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-fluoro-1-[(4-methylsulfonylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-fluoro-4-keto-1-(4-mesylbenzyl)quinoline-3-carboxylic acid Formula: C18H14FNO5S MolecularWeight: 375.370863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC=C3F)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC=C3F)C(=O)O

InChI

InChI=1S/C18H14FNO5S/c1-26(24,25)12-7-5-11(6-8-12)9-20-10-13(18(22)23)17(21)16-14(19)3-2-4-15(16)20/h2-8,10H,9H2,1H3,(H,22,23)