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

Systemtic Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-aminophenyl)sulfonyl-1-piperazinyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(4-sulfanilylpiperazino)quinoline-3-carboxylic acid Formula: C22H22F2N4O5S MolecularWeight: 492.495686

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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)N)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)N)F)C(=O)O

InChI

InChI=1S/C22H22F2N4O5S/c1-2-26-12-16(22(30)31)21(29)15-11-17(23)20(18(24)19(15)26)27-7-9-28(10-8-27)34(32,33)14-5-3-13(25)4-6-14/h3-6,11-12H,2,7-10,25H2,1H3,(H,30,31)