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4-Isopropyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
SpectraBase Compound ID FV5GDDxa89r
InChI InChI=1S/C21H28N2O4S2/c1-4-14-28(24,25)23-13-5-6-18-7-10-19(15-21(18)23)22-29(26,27)20-11-8-17(9-12-20)16(2)3/h7-12,15-16,22H,4-6,13-14H2,1-3H3
InChIKey YTNXUIMPOGQMSF-UHFFFAOYSA-N
Mol Weight 436.59 g/mol
Molecular Formula C21H28N2O4S2
Exact Mass 436.14905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D45yHwmlJuT
Name 4-Isopropyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
Appearance Pale yellow solid
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Formula C21H28N2O4S2
InChI InChI=1S/C21H28N2O4S2/c1-4-14-28(24,25)23-13-5-6-18-7-10-19(15-21(18)23)22-29(26,27)20-11-8-17(9-12-20)16(2)3/h7-12,15-16,22H,4-6,13-14H2,1-3H3
InChIKey YTNXUIMPOGQMSF-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5000
Ionization Type EI
Literature Reference DOI 10.1021/ml400487t
Molecular Weight 436.585 g/mol
Reported Formula C21H28N2O4S2
SMILES N(c1cc2c(CCCN2S(CCC)(=O)=O)cc1)S(c1ccc(C(C)C)cc1)(=O)=O
SPLASH splash10-00kb-2901100000-64c08b26aa5a0b95d166
Source of Spectrum MCS-5-SM14-23
Wiley ID 1864146