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5-Chloro-N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl) thiophene-2-sulfonamide
SpectraBase Compound ID H4y6A4SxtIT
InChI InChI=1S/C15H17ClN2O4S3/c1-2-24(19,20)18-9-3-4-11-5-6-12(10-13(11)18)17-25(21,22)15-8-7-14(16)23-15/h5-8,10,17H,2-4,9H2,1H3
InChIKey PHGKGBXUXJJLTG-UHFFFAOYSA-N
Mol Weight 420.94 g/mol
Molecular Formula C15H17ClN2O4S3
Exact Mass 420.003898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ovtIiEAp3H
Name 5-Chloro-N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl) thiophene-2-sulfonamide
Appearance Yellow oil
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Formula C15H17ClN2O4S3
InChI InChI=1S/C15H17ClN2O4S3/c1-2-24(19,20)18-9-3-4-11-5-6-12(10-13(11)18)17-25(21,22)15-8-7-14(16)23-15/h5-8,10,17H,2-4,9H2,1H3
InChIKey PHGKGBXUXJJLTG-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5000
Ionization Type EI
Literature Reference DOI 10.1021/ml400487t
Molecular Weight 420.944 g/mol
Reported Formula C15H17(35)ClN2O4S3
SMILES N(c1ccc2CCCN(c2c1)S(CC)(=O)=O)S(=O)(=O)c1ccc(s1)Cl
SPLASH splash10-014j-0920000000-0151caaa4133dae3959b
Source of Spectrum MCS-5-SM11-18
Wiley ID 1864143