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2-[(2S,3S)-3-amino-2-(1-besylindol-2-yl)-4,4-diethoxy-piperidino]ethanol
SpectraBase Compound ID 4CSk8WvBS3j
InChI InChI=1S/C25H33N3O5S/c1-3-32-25(33-4-2)14-15-27(16-17-29)23(24(25)26)22-18-19-10-8-9-13-21(19)28(22)34(30,31)20-11-6-5-7-12-20/h5-13,18,23-24,29H,3-4,14-17,26H2,1-2H3/t23-,24+/m1/s1
InChIKey JVZFEJADKPEILB-RPWUZVMVSA-N
Mol Weight 487.6 g/mol
Molecular Formula C25H33N3O5S
Exact Mass 487.214092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50vtzrsLMO
Name 2-[(2S,3S)-3-amino-2-(1-besylindol-2-yl)-4,4-diethoxy-piperidino]ethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33N3O5S
InChI InChI=1S/C25H33N3O5S/c1-3-32-25(33-4-2)14-15-27(16-17-29)23(24(25)26)22-18-19-10-8-9-13-21(19)28(22)34(30,31)20-11-6-5-7-12-20/h5-13,18,23-24,29H,3-4,14-17,26H2,1-2H3/t23-,24+/m1/s1
InChIKey JVZFEJADKPEILB-RPWUZVMVSA-N
Molecular Weight 487.615 g/mol
SMILES OCCN1[C@@]([C@@](C(CC1)(OCC)OCC)(N)[H])(c1[n](S(=O)(=O)c2ccccc2)c2c(cccc2)c1)[H]
SPLASH splash10-001i-1933000000-351cfbd89cc49f82886b
Source of Spectrum F-52-8596-26
Synonyms 2-[(2S,3S)-3-amino-2-[1-(benzenesulfonyl)-2-indolyl]-4,4-diethoxy-1-piperidinyl]ethanol 2-[(2S,3S)-3-amino-2-[1-(benzenesulfonyl)indol-2-yl]-4,4-diethoxy-1-piperidyl]ethanol 2-[(2S,3S)-3-amino-2-[1-(benzenesulfonyl)indol-2-yl]-4,4-diethoxypiperidin-1-yl]ethanol 2-[(2S,3S)-3-azanyl-4,4-diethoxy-2-[1-(phenylsulfonyl)indol-2-yl]piperidin-1-yl]ethanol
Wiley ID 797217