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2-[(4-methylphenyl)sulfonyl]-3-(3-nitrophenyl)-1,2,3,5,6,10b-hexahydroimidazo[5,1-a]isoquinoline
SpectraBase Compound ID KdoZB52NhVW
InChI InChI=1S/C24H23N3O4S/c1-17-9-11-21(12-10-17)32(30,31)26-16-23-22-8-3-2-5-18(22)13-14-25(23)24(26)19-6-4-7-20(15-19)27(28)29/h2-12,15,23-24H,13-14,16H2,1H3
InChIKey VQDZVXOIRSUUGD-UHFFFAOYSA-N
Mol Weight 449.53 g/mol
Molecular Formula C24H23N3O4S
Exact Mass 449.140927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MLY3scRmoE
Name 2-[(4-methylphenyl)sulfonyl]-3-(3-nitrophenyl)-1,2,3,5,6,10b-hexahydroimidazo[5,1-a]isoquinoline
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Formula C24H23N3O4S
InChI InChI=1S/C24H23N3O4S/c1-17-9-11-21(12-10-17)32(30,31)26-16-23-22-8-3-2-5-18(22)13-14-25(23)24(26)19-6-4-7-20(15-19)27(28)29/h2-12,15,23-24H,13-14,16H2,1H3
InChIKey VQDZVXOIRSUUGD-UHFFFAOYSA-N
Molecular Weight 449.525 g/mol
SMILES c1ccc2C3CN(S(c4ccc(cc4)C)(=O)=O)C(N3CCc2c1)c1cc(N(=O)=O)ccc1
SPLASH splash10-00l6-3940000000-22d29d4dc8e3495becb3
Synonyms 2-(4-Methylphenyl)sulfonyl-3-(3-nitrophenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline 3-(3-nitrophenyl)-2-(p-tolylsulfonyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline 3-(3-nitrophenyl)-2-tosyl-3,5,6,10b-tetrahydro-1H-imidaz[5,1-a]isoquinoline
Wiley ID 1460714