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

Systemtic Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-aminophenyl)sulfonyl-1-piperazinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-(4-sulfanilylpiperazino)quinoline-3-carboxylic acid Formula: C23H22F2N4O5S MolecularWeight: 504.506386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N)F)C(=O)O

InChI

InChI=1S/C23H22F2N4O5S/c24-18-11-16-20(29(14-3-4-14)12-17(22(16)30)23(31)32)19(25)21(18)27-7-9-28(10-8-27)35(33,34)15-5-1-13(26)2-6-15/h1-2,5-6,11-12,14H,3-4,7-10,26H2,(H,31,32)