1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[2-(phenylsulfonyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[2-(phenylsulfonyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-[2-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(benzenesulfonyl)-1-piperazinyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2-besylpiperazino)-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H21F2N3O5S MolecularWeight: 477.481046

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNCC3S(=O)(=O)C4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNCC3S(=O)(=O)C4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C22H21F2N3O5S/c1-2-26-12-15(22(29)30)21(28)14-10-16(23)20(18(24)19(14)26)27-9-8-25-11-17(27)33(31,32)13-6-4-3-5-7-13/h3-7,10,12,17,25H,2,8-9,11H2,1H3,(H,29,30)