1-cyclopropyl-6-fluoranyl-4-oxidanylidene-2-[(Z)-2-phenyl-1-sulfo-ethenyl]-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-2-[(Z)-2-phenyl-1-sulfo-ethenyl]-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-2-[(Z)-2-phenyl-1-sulfo-vinyl]-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-2-[(Z)-2-phenyl-1-sulfoethenyl]-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-2-[(Z)-2-phenyl-1-sulfoethenyl]-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-2-[(Z)-2-phenyl-1-sulfo-vinyl]-7-piperazino-quinoline-3-carboxylic acid Formula: C25H24FN3O6S MolecularWeight: 513.537963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=CC(=C(C=C3C(=O)C(=C2C(=CC4=CC=CC=C4)S(=O)(=O)O)C(=O)O)F)N5CCNCC5

Isomeric SMILES

C1CC1N2C3=CC(=C(C=C3C(=O)C(=C2/C(=C/C4=CC=CC=C4)/S(=O)(=O)O)C(=O)O)F)N5CCNCC5

InChI

InChI=1S/C25H24FN3O6S/c26-18-13-17-19(14-20(18)28-10-8-27-9-11-28)29(16-6-7-16)23(22(24(17)30)25(31)32)21(36(33,34)35)12-15-4-2-1-3-5-15/h1-5,12-14,16,27H,6-11H2,(H,31,32)(H,33,34,35)/b21-12-