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N-(4-bromophenyl)-2-(2-thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

View entire compound with spectra: 1 MS (GC)

N-(4-bromophenyl)-2-(2-thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
SpectraBase Compound ID LmOKiFiH1S3
InChI InChI=1S/C20H17BrN2O3S2/c21-16-7-9-17(10-8-16)22-20(24)18-12-14-4-1-2-5-15(14)13-23(18)28(25,26)19-6-3-11-27-19/h1-11,18H,12-13H2,(H,22,24)
InChIKey NKKYHFAKFOOSAJ-UHFFFAOYSA-N
Mol Weight 477.39 g/mol
Molecular Formula C20H17BrN2O3S2
Exact Mass 475.986398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2r8wbhnSNN8
Name N-(4-bromophenyl)-2-(2-thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
Alternate Name(s) N-(4-bromophenyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide N-(4-bromophenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
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Formula C20H17BrN2O3S2
InChI InChI=1S/C20H17BrN2O3S2/c21-16-7-9-17(10-8-16)22-20(24)18-12-14-4-1-2-5-15(14)13-23(18)28(25,26)19-6-3-11-27-19/h1-11,18H,12-13H2,(H,22,24)
InChIKey NKKYHFAKFOOSAJ-UHFFFAOYSA-N
Molecular Weight 477.391 g/mol
SMILES N(C(C1N(Cc2c(cccc2)C1)S(=O)(c1sccc1)=O)=O)c1ccc(cc1)Br
SPLASH splash10-001i-5921000000-0e28c4b2365306daf169
Wiley ID 1445384