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(S)-2-(1-Benzenesulfonyl-1H-indol-2-yl)-1-((S)-2-hydroxy-1-phenyl-ethyl)-piperidin-4-one
SpectraBase Compound ID HbhYtPLMxua
InChI InChI=1S/C27H26N2O4S/c30-19-27(20-9-3-1-4-10-20)28-16-15-22(31)18-25(28)26-17-21-11-7-8-14-24(21)29(26)34(32,33)23-12-5-2-6-13-23/h1-14,17,25,27,30H,15-16,18-19H2/t25-,27+/m0/s1
InChIKey BNGBDFGXBPRTNN-AHKZPQOWSA-N
Mol Weight 474.58 g/mol
Molecular Formula C27H26N2O4S
Exact Mass 474.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nBSOpDcfgB
Name (S)-2-(1-Benzenesulfonyl-1H-indol-2-yl)-1-((S)-2-hydroxy-1-phenyl-ethyl)-piperidin-4-one
Alternate Name(s) (2S)-1-[(1S)-2-hydroxy-1-phenylethyl]-2-[1-(phenylsulfonyl)-1H-indol-2-yl]-4-piperidinone 2-[1-(Phenylsulfonyl)-2-indolyl]-4-piperidone
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Formula C27H26N2O4S
InChI InChI=1S/C27H26N2O4S/c30-19-27(20-9-3-1-4-10-20)28-16-15-22(31)18-25(28)26-17-21-11-7-8-14-24(21)29(26)34(32,33)23-12-5-2-6-13-23/h1-14,17,25,27,30H,15-16,18-19H2/t25-,27+/m0/s1
InChIKey BNGBDFGXBPRTNN-AHKZPQOWSA-N
Molecular Weight 474.575 g/mol
SMILES OC[C@@](N1[C@](c2[n](S(=O)(=O)c3ccccc3)c3c(cccc3)c2)(CC(CC1)=O)[H])(c1ccccc1)[H]
SPLASH splash10-097l-0625900000-6c64412f5ffca8433c25
Source of Spectrum H1-34-650-1
Wiley ID 754667