1-cyclopropyl-6-fluoranyl-7-[4-(2-methylsulfonylethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-(2-methylsulfonylethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-(2-methylsulfonylethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-(2-methylsulfonylethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-(2-methylsulfonylethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(2-mesylethyl)piperazino]quinoline-3-carboxylic acid Formula: C20H24FN3O5S MolecularWeight: 437.485063

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CS(=O)(=O)CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C20H24FN3O5S/c1-30(28,29)9-8-22-4-6-23(7-5-22)18-11-17-14(10-16(18)21)19(25)15(20(26)27)12-24(17)13-2-3-13/h10-13H,2-9H2,1H3,(H,26,27)