1-ethyl-6,8-bis(fluoranyl)-7-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-7-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-7-[3-methyl-4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-[3-methyl-4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(3-methyl-4-nosyl-piperazino)quinoline-3-carboxylic acid Formula: C23H22F2N4O7S MolecularWeight: 536.505186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(C(C3)C)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)F)N3CCN(C(C3)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])F)C(=O)O

InChI

InChI=1S/C23H22F2N4O7S/c1-3-26-12-17(23(31)32)22(30)16-10-18(24)21(19(25)20(16)26)27-8-9-28(13(2)11-27)37(35,36)15-6-4-14(5-7-15)29(33)34/h4-7,10,12-13H,3,8-9,11H2,1-2H3,(H,31,32)