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N-(1-(Propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
SpectraBase Compound ID K47aTuIXLoK
InChI InChI=1S/C16H20N2O4S3/c1-2-11-24(19,20)18-9-3-5-13-7-8-14(12-15(13)18)17-25(21,22)16-6-4-10-23-16/h4,6-8,10,12,17H,2-3,5,9,11H2,1H3
InChIKey XKPZJPNEGCGXNZ-UHFFFAOYSA-N
Mol Weight 400.53 g/mol
Molecular Formula C16H20N2O4S3
Exact Mass 400.058521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mgsxzXxyxl
Name N-(1-(Propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
Appearance Orange solid
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Formula C16H20N2O4S3
InChI InChI=1S/C16H20N2O4S3/c1-2-11-24(19,20)18-9-3-5-13-7-8-14(12-15(13)18)17-25(21,22)16-6-4-10-23-16/h4,6-8,10,12,17H,2-3,5,9,11H2,1H3
InChIKey XKPZJPNEGCGXNZ-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5000
Ionization Type EI
Literature Reference DOI 10.1021/ml400487t
Molecular Weight 400.526 g/mol
Reported Formula C16H20N2O4S3
SMILES N(c1cc2c(CCCN2S(CCC)(=O)=O)cc1)S(c1cccs1)(=O)=O
SPLASH splash10-00mk-0931100000-52833fad0b3400e52d65
Source of Spectrum MCS-5-SM16-26
Wiley ID 1864149