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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylsulfonyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(benzenesulfonyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-besylpiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H22FN3O5S MolecularWeight: 459.490583

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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=CC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C22H22FN3O5S/c1-2-24-14-17(22(28)29)21(27)16-12-18(23)20(13-19(16)24)25-8-10-26(11-9-25)32(30,31)15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H,28,29)