1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylmethyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylmethyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-(4-benzylsulfonylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 7-(4-benzylsulfonylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-benzylsulfonylpiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H24FN3O5S MolecularWeight: 473.517163

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C23H24FN3O5S/c1-2-25-14-18(23(29)30)22(28)17-12-19(24)21(13-20(17)25)26-8-10-27(11-9-26)33(31,32)15-16-6-4-3-5-7-16/h3-7,12-14H,2,8-11,15H2,1H3,(H,29,30)