1-ethyl-6-fluoranyl-7-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(1-tosylisonipecotoyl)piperazino]quinoline-3-carboxylic acid Formula: C29H33FN4O6S MolecularWeight: 584.658923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C)F)C(=O)O

InChI

InChI=1S/C29H33FN4O6S/c1-3-31-18-23(29(37)38)27(35)22-16-24(30)26(17-25(22)31)32-12-14-33(15-13-32)28(36)20-8-10-34(11-9-20)41(39,40)21-6-4-19(2)5-7-21/h4-7,16-18,20H,3,8-15H2,1-2H3,(H,37,38)