6-fluoranyl-1-(4-fluorophenyl)-7-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-7-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-7-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-7-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-7-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-(4-nosylpiperazino)quinoline-3-carboxylic acid Formula: C26H20F2N4O7S MolecularWeight: 570.521406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H20F2N4O7S/c27-16-1-3-17(4-2-16)31-15-21(26(34)35)25(33)20-13-22(28)24(14-23(20)31)29-9-11-30(12-10-29)40(38,39)19-7-5-18(6-8-19)32(36)37/h1-8,13-15H,9-12H2,(H,34,35)