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N-(2-Chloro-3-(2-cyano-1-hydroxyallyl)-7-phenoxyquinolin-6-yl)methanesulfonamide
SpectraBase Compound ID 6CMo0u9vOMT
InChI InChI=1S/C20H16ClN3O4S/c1-12(11-22)19(25)15-8-13-9-17(24-29(2,26)27)18(10-16(13)23-20(15)21)28-14-6-4-3-5-7-14/h3-10,19,24-25H,1H2,2H3
InChIKey MYCHJDGECWAWFA-UHFFFAOYSA-N
Mol Weight 429.88 g/mol
Molecular Formula C20H16ClN3O4S
Exact Mass 429.055005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsnQp1TS4qV
Name N-(2-Chloro-3-(2-cyano-1-hydroxyallyl)-7-phenoxyquinolin-6-yl)methanesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C20H16ClN3O4S
InChI InChI=1S/C20H16ClN3O4S/c1-12(11-22)19(25)15-8-13-9-17(24-29(2,26)27)18(10-16(13)23-20(15)21)28-14-6-4-3-5-7-14/h3-10,19,24-25H,1H2,2H3
InChIKey MYCHJDGECWAWFA-UHFFFAOYSA-N
Molecular Weight 429.878 g/mol
SMILES N(S(=O)(=O)C)c1cc2c(nc(c(C(C(C#N)=C)O)c2)Cl)cc1Oc1ccccc1
SPLASH splash10-001i-0000900000-b3328e9abe1a4fc7dd22
Source of Spectrum Y-49-86-3h
Synonyms N-[2-chloro-3-(2-cyano-1-hydroxyprop-2-enyl)-7-phenoxy-6-quinolinyl]methanesulfonamide N-[2-chloro-3-(2-cyano-1-hydroxyprop-2-enyl)-7-phenoxyquinolin-6-yl]methanesulfonamide N-[2-chloranyl-3-(2-cyano-1-oxidanyl-prop-2-enyl)-7-phenoxy-quinolin-6-yl]methanesulfonamide
Wiley ID 1706636