7-[(4-carboxyphenyl)methyl-(trifluoromethylsulfonyl)amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(4-carboxyphenyl)methyl-(trifluoromethylsulfonyl)amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(4-carboxyphenyl)methyl-(trifluoromethylsulfonyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(4-carboxyphenyl)methyl-(trifluoromethylsulfonyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(4-carboxyphenyl)methyl-(trifluoromethylsulfonyl)amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(4-carboxybenzyl)-triflyl-amino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H16F4N2O7S MolecularWeight: 528.430253

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=C(C=C4)C(=O)O)S(=O)(=O)C(F)(F)F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=C(C=C4)C(=O)O)S(=O)(=O)C(F)(F)F)F)C(=O)O

InChI

InChI=1S/C22H16F4N2O7S/c23-16-7-14-17(27(13-5-6-13)10-15(19(14)29)21(32)33)8-18(16)28(36(34,35)22(24,25)26)9-11-1-3-12(4-2-11)20(30)31/h1-4,7-8,10,13H,5-6,9H2,(H,30,31)(H,32,33)