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1-Cyclopropyl-6-fluoro-4-oxo-7-(4-((2,3,4,5,6-pentamethylphenyl)sulfonyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
SpectraBase Compound ID HwDQZ4o5uBg
InChI InChI=1S/C28H32FN3O5S/c1-15-16(2)18(4)27(19(5)17(15)3)38(36,37)31-10-8-30(9-11-31)25-13-24-21(12-23(25)29)26(33)22(28(34)35)14-32(24)20-6-7-20/h12-14,20H,6-11H2,1-5H3,(H,34,35)
InChIKey YPWKIXRBHCSKRZ-UHFFFAOYSA-N
Mol Weight 541.6 g/mol
Molecular Formula C28H32FN3O5S
Exact Mass 541.20467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Pst7RIyNC4
Name 1-Cyclopropyl-6-fluoro-4-oxo-7-(4-((2,3,4,5,6-pentamethylphenyl)sulfonyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C28H32FN3O5S
InChI InChI=1S/C28H32FN3O5S/c1-15-16(2)18(4)27(19(5)17(15)3)38(36,37)31-10-8-30(9-11-31)25-13-24-21(12-23(25)29)26(33)22(28(34)35)14-32(24)20-6-7-20/h12-14,20H,6-11H2,1-5H3,(H,34,35)
InChIKey YPWKIXRBHCSKRZ-UHFFFAOYSA-N
Molecular Weight 541.638 g/mol
SMILES OC(C=1C(c2cc(c(cc2N(C1)C1CC1)N1CCN(S(c2c(c(C)c(c(c2C)C)C)C)(=O)=O)CC1)F)=O)=O
SPLASH splash10-0006-0000090000-31e1911da866b0163d78
Source of Spectrum F2-46-5495-11b
Synonyms 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinyl]-3-quinolinecarboxylic acid 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]quinoline-3-carboxylic acid
Wiley ID 1690205