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(2S,5S)-2-(1-besylindol-2-yl)-5-ethyl-1-methyl-4-piperidone
SpectraBase Compound ID IUbRwqpJAkw
InChI InChI=1S/C22H24N2O3S/c1-3-16-15-23(2)20(14-22(16)25)21-13-17-9-7-8-12-19(17)24(21)28(26,27)18-10-5-4-6-11-18/h4-13,16,20H,3,14-15H2,1-2H3/t16-,20-/m0/s1
InChIKey XCPIXCFRTVMPLR-JXFKEZNVSA-N
Mol Weight 396.51 g/mol
Molecular Formula C22H24N2O3S
Exact Mass 396.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuqH4y40qKZ
Name (2S,5S)-2-(1-besylindol-2-yl)-5-ethyl-1-methyl-4-piperidone
CAS Registry Number 132241-99-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N2O3S
InChI InChI=1S/C22H24N2O3S/c1-3-16-15-23(2)20(14-22(16)25)21-13-17-9-7-8-12-19(17)24(21)28(26,27)18-10-5-4-6-11-18/h4-13,16,20H,3,14-15H2,1-2H3/t16-,20-/m0/s1
InChIKey XCPIXCFRTVMPLR-JXFKEZNVSA-N
Molecular Weight 396.505 g/mol
SMILES c1(S([n]2c([C@]3(N(C[C@@](C(C3)=O)(CC)[H])C)[H])cc3c2cccc3)(=O)=O)ccccc1
SPLASH splash10-057i-6971000000-309c68de8fc08e390779
Source of Spectrum F-46-4399-6
Synonyms (2S,5S)-2-[1-(benzenesulfonyl)-2-indolyl]-5-ethyl-1-methyl-4-piperidinone (2S,5S)-2-[1-(benzenesulfonyl)indol-2-yl]-5-ethyl-1-methyl-piperidin-4-one (2S,5S)-5-ethyl-1-methyl-2-[1-(phenylsulfonyl)indol-2-yl]piperidin-4-one
Wiley ID 1367457