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4-Methyl-N-(1-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
SpectraBase Compound ID 9wujOeYKrtV
InChI InChI=1S/C20H20N2O4S3/c1-15-6-10-18(11-7-15)28(23,24)21-17-9-8-16-4-2-12-22(19(16)14-17)29(25,26)20-5-3-13-27-20/h3,5-11,13-14,21H,2,4,12H2,1H3
InChIKey DHDPYMYHOODPNH-UHFFFAOYSA-N
Mol Weight 448.57 g/mol
Molecular Formula C20H20N2O4S3
Exact Mass 448.058521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsZL5jRLjpO
Name 4-Methyl-N-(1-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
Appearance Yellow solid
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Formula C20H20N2O4S3
InChI InChI=1S/C20H20N2O4S3/c1-15-6-10-18(11-7-15)28(23,24)21-17-9-8-16-4-2-12-22(19(16)14-17)29(25,26)20-5-3-13-27-20/h3,5-11,13-14,21H,2,4,12H2,1H3
InChIKey DHDPYMYHOODPNH-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5000
Ionization Type EI
Literature Reference DOI 10.1021/ml400487t
Molecular Weight 448.570 g/mol
Reported Formula C20H20N2O4S3
SMILES N(c1cc2c(CCCN2S(c2cccs2)(=O)=O)cc1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-00mn-4952100000-41d9da7cde4b8ab9a34c
Source of Spectrum MCS-5-SM20-33
Wiley ID 1864157