6-fluoranyl-1-[2-fluoranyl-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-7-(4-methylsulfonylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-[2-fluoranyl-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-7-(4-methylsulfonylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-[2-fluoro-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-7-(4-methylsulfonylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-[2-fluoro-4-(4-methylsulfonyl-1-piperazinyl)phenyl]-7-(4-methylsulfonyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-[2-fluoro-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-7-(4-methylsulfonylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-[2-fluoro-4-(4-mesylpiperazino)phenyl]-4-keto-7-(4-mesylpiperazino)quinoline-3-carboxylic acid Formula: C26H29F2N5O7S2 MolecularWeight: 625.664566

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCN(CC5)S(=O)(=O)C)F)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCN(CC5)S(=O)(=O)C)F)C(=O)O)F

InChI

InChI=1S/C26H29F2N5O7S2/c1-41(37,38)31-9-5-29(6-10-31)17-3-4-22(20(27)13-17)33-16-19(26(35)36)25(34)18-14-21(28)24(15-23(18)33)30-7-11-32(12-8-30)42(2,39)40/h3-4,13-16H,5-12H2,1-2H3,(H,35,36)