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

Systemtic Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-acetamidophenyl)sulfonyl-1-piperazinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(4-acetamidophenyl)sulfonylpiperazino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H24F2N4O6S MolecularWeight: 546.543066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C25H24F2N4O6S/c1-14(32)28-15-2-6-17(7-3-15)38(36,37)30-10-8-29(9-11-30)23-20(26)12-18-22(21(23)27)31(16-4-5-16)13-19(24(18)33)25(34)35/h2-3,6-7,12-13,16H,4-5,8-11H2,1H3,(H,28,32)(H,34,35)