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

Systemtic Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-acetamidophenyl)sulfonyl-1-piperazinyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazino]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H24F2N4O6S MolecularWeight: 534.532366

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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)NC(=O)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)NC(=O)C)F)C(=O)O

InChI

InChI=1S/C24H24F2N4O6S/c1-3-28-13-18(24(33)34)23(32)17-12-19(25)22(20(26)21(17)28)29-8-10-30(11-9-29)37(35,36)16-6-4-15(5-7-16)27-14(2)31/h4-7,12-13H,3,8-11H2,1-2H3,(H,27,31)(H,33,34)