1-ethyl-6-fluoranyl-7-(4-methylsulfonylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-methylsulfonylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-(4-methylsulfonylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-(4-methylsulfonyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-(4-methylsulfonylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-mesylpiperazino)quinoline-3-carboxylic acid Formula: C17H20FN3O5S MolecularWeight: 397.421203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3O5S/c1-3-19-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)19)20-4-6-21(7-5-20)27(2,25)26/h8-10H,3-7H2,1-2H3,(H,23,24)