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(S)-1-(2-Benzyl-1,3-dithian-2-yl)-2-(4-methylbenzenesulfonamido)-3-phenylpropane
SpectraBase Compound ID 5r554L5hJjf
InChI InChI=1S/C27H31NO2S3/c1-22-13-15-26(16-14-22)33(29,30)28-25(19-23-9-4-2-5-10-23)21-27(31-17-8-18-32-27)20-24-11-6-3-7-12-24/h2-7,9-16,25,28H,8,17-21H2,1H3/t25-/m0/s1
InChIKey XTQLYDMFDXKWQV-VWLOTQADSA-N
Mol Weight 497.73 g/mol
Molecular Formula C27H31NO2S3
Exact Mass 497.151693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DXS9hIGsi
Name (S)-1-(2-Benzyl-1,3-dithian-2-yl)-2-(4-methylbenzenesulfonamido)-3-phenylpropane
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Formula C27H31NO2S3
InChI InChI=1S/C27H31NO2S3/c1-22-13-15-26(16-14-22)33(29,30)28-25(19-23-9-4-2-5-10-23)21-27(31-17-8-18-32-27)20-24-11-6-3-7-12-24/h2-7,9-16,25,28H,8,17-21H2,1H3/t25-/m0/s1
InChIKey XTQLYDMFDXKWQV-VWLOTQADSA-N
Molecular Weight 497.730 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@](CC1(SCCCS1)Cc1ccccc1)(Cc1ccccc1)[H]
SPLASH splash10-014l-7920000000-7a35d1583b58e7f82798
Source of Spectrum KC-0-2441-11
Synonyms N-[(2S)-1-(2-benzyl-1,3-dithian-2-yl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide 4-Methyl-N-[(2S)-1-phenyl-3-[2-(phenylmethyl)-1,3-dithian-2-yl]propan-2-yl]benzenesulfonamide
Wiley ID 784291