1-cyclopropyl-6-fluoranyl-5-methyl-7-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-5-methyl-7-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-5-methyl-7-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-5-methyl-7-[3-methyl-4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-5-methyl-7-[3-methyl-4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-5-methyl-7-(3-methyl-4-nosyl-piperazino)quinoline-3-carboxylic acid Formula: C25H25FN4O7S MolecularWeight: 544.552003

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C(=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)C)F

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C(=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)C)F

InChI

InChI=1S/C25H25FN4O7S/c1-14-12-27(9-10-29(14)38(36,37)18-7-5-17(6-8-18)30(34)35)21-11-20-22(15(2)23(21)26)24(31)19(25(32)33)13-28(20)16-3-4-16/h5-8,11,13-14,16H,3-4,9-10,12H2,1-2H3,(H,32,33)