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

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-4-oxo-7-[4-(p-tolylsulfonyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-7-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(4-tosylpiperazino)quinoline-3-carboxylic acid Formula: C23H23F2N3O5S MolecularWeight: 491.507626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23F2N3O5S/c1-3-26-13-17(23(30)31)22(29)16-12-18(24)21(19(25)20(16)26)27-8-10-28(11-9-27)34(32,33)15-6-4-14(2)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,30,31)