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7-(4-((2,4-Dichlorophenyl)sulfonyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SpectraBase Compound ID 3W2ONqy1CSF
InChI InChI=1S/C22H20Cl2FN3O5S/c1-2-26-12-15(22(30)31)21(29)14-10-17(25)19(11-18(14)26)27-5-7-28(8-6-27)34(32,33)20-4-3-13(23)9-16(20)24/h3-4,9-12H,2,5-8H2,1H3,(H,30,31)
InChIKey MIZPLCXIQXTAKP-UHFFFAOYSA-N
Mol Weight 528.38 g/mol
Molecular Formula C22H20Cl2FN3O5S
Exact Mass 527.048475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FHpfJAZkbe
Name 7-(4-((2,4-Dichlorophenyl)sulfonyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Alternate Name(s) 7-[4-(2,4-dichlorophenyl)sulfonyl-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid 7-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid 7-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid 7-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C22H20Cl2FN3O5S
InChI InChI=1S/C22H20Cl2FN3O5S/c1-2-26-12-15(22(30)31)21(29)14-10-17(25)19(11-18(14)26)27-5-7-28(8-6-27)34(32,33)20-4-3-13(23)9-16(20)24/h3-4,9-12H,2,5-8H2,1H3,(H,30,31)
InChIKey MIZPLCXIQXTAKP-UHFFFAOYSA-N
Molecular Weight 528.382 g/mol
SMILES OC(C=1C(c2cc(c(cc2N(C1)CC)N1CCN(S(c2c(cc(cc2)Cl)Cl)(=O)=O)CC1)F)=O)=O
SPLASH splash10-004i-0000090000-74833a5a1af604ec3cf8
Source of Spectrum F2-46-5494-6a
Wiley ID 1690216