5,8-bis(fluoranyl)-1-[(4-methylsulfonylphenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5,8-bis(fluoranyl)-1-[(4-methylsulfonylphenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5,8-difluoro-1-[(4-methylsulfonylphenyl)methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5,8-difluoro-1-[(4-methylsulfonylphenyl)methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5,8-difluoro-1-[(4-methylsulfonylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5,8-difluoro-4-keto-1-(4-mesylbenzyl)quinoline-3-carboxylic acid Formula: C18H13F2NO5S MolecularWeight: 393.361326

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=C(C(=O)C3=C(C=CC(=C32)F)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=C(C(=O)C3=C(C=CC(=C32)F)F)C(=O)O

InChI

InChI=1S/C18H13F2NO5S/c1-27(25,26)11-4-2-10(3-5-11)8-21-9-12(18(23)24)17(22)15-13(19)6-7-14(20)16(15)21/h2-7,9H,8H2,1H3,(H,23,24)