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N-((1S,2R)-2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxo-1-(p-tolyl)butyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID LbWnLoUcjAy
InChI InChI=1S/C27H26N2O5S/c1-17-8-12-20(13-9-17)25(28-35(33,34)21-14-10-18(2)11-15-21)24(19(3)30)16-29-26(31)22-6-4-5-7-23(22)27(29)32/h4-15,24-25,28H,16H2,1-3H3/t24-,25+/m0/s1
InChIKey CNIJNOSKRIUMLC-LOSJGSFVSA-N
Mol Weight 490.57 g/mol
Molecular Formula C27H26N2O5S
Exact Mass 490.156243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKHJit1HXiE
Name N-((1S,2R)-2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxo-1-(p-tolyl)butyl)-4-methylbenzenesulfonamide
Alternate Name(s) N-[(1S,2R)-2-[(1,3-dioxo-2-isoindolyl)methyl]-1-(4-methylphenyl)-3-oxobutyl]-4-methylbenzenesulfonamide N-[(1S,2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-1-(4-methylphenyl)-3-oxobutyl]-4-methylbenzenesulfonamide N-[(1S,2R)-2-[(1,3-dioxoisoindolin-2-yl)methyl]-3-oxo-1-(p-tolyl)butyl]-4-methyl-benzenesulfonamide N-[(1S,2R)-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1-(4-methylphenyl)-3-oxidanylidene-butyl]-4-methyl-benzenesulfonamide
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Formula C27H26N2O5S
InChI InChI=1S/C27H26N2O5S/c1-17-8-12-20(13-9-17)25(28-35(33,34)21-14-10-18(2)11-15-21)24(19(3)30)16-29-26(31)22-6-4-5-7-23(22)27(29)32/h4-15,24-25,28H,16H2,1-3H3/t24-,25+/m0/s1
InChIKey CNIJNOSKRIUMLC-LOSJGSFVSA-N
Literature Reference DOI 10.1021/jo102143r
Molecular Weight 490.574 g/mol
SMILES N([C@@]([C@@](CN1C(=O)c2c(cccc2)C1=O)(C(C)=O)[H])(c1ccc(cc1)C)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-002r-0698000000-668618574b380d0f7c73
Source of Spectrum J-76-2890-threo_5a
Wiley ID 1744697