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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-nosylpiperazino)quinoline-3-carboxylic acid Formula: C22H21FN4O7S MolecularWeight: 504.488143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])F)C(=O)O

InChI

InChI=1S/C22H21FN4O7S/c1-2-24-13-17(22(29)30)21(28)16-11-18(23)20(12-19(16)24)25-7-9-26(10-8-25)35(33,34)15-5-3-14(4-6-15)27(31)32/h3-6,11-13H,2,7-10H2,1H3,(H,29,30)