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

Systemtic Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-(4-aminophenyl)sulfonyl-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-sulfanilylpiperazino)quinoline-3-carboxylate Formula: C22H22FN4O5S- MolecularWeight: 473.497283

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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)N)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)N)F)C(=O)[O-]

InChI

InChI=1S/C22H23FN4O5S/c1-2-25-13-17(22(29)30)21(28)16-11-18(23)20(12-19(16)25)26-7-9-27(10-8-26)33(31,32)15-5-3-14(24)4-6-15/h3-6,11-13H,2,7-10,24H2,1H3,(H,29,30)/p-1