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N-(1-(Ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-fluorobenzenesulfonamide
SpectraBase Compound ID IT2nUyaZo4W
InChI InChI=1S/C17H19FN2O4S2/c1-2-25(21,22)20-11-3-4-13-5-8-15(12-17(13)20)19-26(23,24)16-9-6-14(18)7-10-16/h5-10,12,19H,2-4,11H2,1H3
InChIKey JBSDOPUBFLXLCV-UHFFFAOYSA-N
Mol Weight 398.47 g/mol
Molecular Formula C17H19FN2O4S2
Exact Mass 398.077028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fGmzK5VhMq
Name N-(1-(Ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-fluorobenzenesulfonamide
Appearance Colourless solid
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Formula C17H19FN2O4S2
InChI InChI=1S/C17H19FN2O4S2/c1-2-25(21,22)20-11-3-4-13-5-8-15(12-17(13)20)19-26(23,24)16-9-6-14(18)7-10-16/h5-10,12,19H,2-4,11H2,1H3
InChIKey JBSDOPUBFLXLCV-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5000
Ionization Type EI
Literature Reference DOI 10.1021/ml400487t
Molecular Weight 398.467 g/mol
Reported Formula C17H19FN2O4S2
SMILES N(c1ccc2CCCN(c2c1)S(CC)(=O)=O)S(=O)(=O)c1ccc(cc1)F
SPLASH splash10-0002-9702000000-a8ff8a4f602dc4d7312f
Source of Spectrum MCS-5-SM7-11
Wiley ID 1864137