1-ethyl-6-fluoranyl-7-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(p-tolylsulfonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-7-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6-fluoro-7-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-tosylpiperazino)quinoline-3-carboxylate Formula: C23H23FN3O5S- MolecularWeight: 472.509223

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H24FN3O5S/c1-3-25-14-18(23(29)30)22(28)17-12-19(24)21(13-20(17)25)26-8-10-27(11-9-26)33(31,32)16-6-4-15(2)5-7-16/h4-7,12-14H,3,8-11H2,1-2H3,(H,29,30)/p-1