1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[phenylsulfonyl(pyridin-4-ylmethyl)amino]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[phenylsulfonyl(pyridin-4-ylmethyl)amino]quinoline-3-carboxylic acid Openeye Name: 7-[benzenesulfonyl(4-pyridylmethyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[benzenesulfonyl(pyridin-4-ylmethyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[benzenesulfonyl(pyridin-4-ylmethyl)amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[besyl(4-pyridylmethyl)amino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H20FN3O5S MolecularWeight: 493.506803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=NC=C4)S(=O)(=O)C5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=NC=C4)S(=O)(=O)C5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C25H20FN3O5S/c26-21-12-19-22(28(17-6-7-17)15-20(24(19)30)25(31)32)13-23(21)29(14-16-8-10-27-11-9-16)35(33,34)18-4-2-1-3-5-18/h1-5,8-13,15,17H,6-7,14H2,(H,31,32)