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(2R,.alpha.R)-1-[1-Phenyl-2-hydroxyethyl]-2-[1-(phenylsulfonyl)-2-indolyl]-4-methylenepiperidine
SpectraBase Compound ID GvTdcnpZRuw
InChI InChI=1S/C28H28N2O3S/c1-21-16-17-29(28(20-31)22-10-4-2-5-11-22)26(18-21)27-19-23-12-8-9-15-25(23)30(27)34(32,33)24-13-6-3-7-14-24/h2-15,19,26,28,31H,1,16-18,20H2/t26-,28-/m0/s1
InChIKey XFORILVWHGJRSU-XCZPVHLTSA-N
Mol Weight 472.6 g/mol
Molecular Formula C28H28N2O3S
Exact Mass 472.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVTMUywry2r
Name (2R,.alpha.R)-1-[1-Phenyl-2-hydroxyethyl]-2-[1-(phenylsulfonyl)-2-indolyl]-4-methylenepiperidine
Alternate Name(s) (2S)-2-{(2S)-4-methylene-2-[1-(phenylsulfonyl)-1H-indol-2-yl]piperidinyl}-2-phenylethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28N2O3S
InChI InChI=1S/C28H28N2O3S/c1-21-16-17-29(28(20-31)22-10-4-2-5-11-22)26(18-21)27-19-23-12-8-9-15-25(23)30(27)34(32,33)24-13-6-3-7-14-24/h2-15,19,26,28,31H,1,16-18,20H2/t26-,28-/m0/s1
InChIKey XFORILVWHGJRSU-XCZPVHLTSA-N
Molecular Weight 472.603 g/mol
SMILES OC[C@](N1[C@](c2[n](S(=O)(=O)c3ccccc3)c3c(cccc3)c2)(CC(=C)CC1)[H])(c1ccccc1)[H]
SPLASH splash10-0006-0002900000-c7f35ad2a4f2acc647b5
Source of Spectrum F-51-7542-14
Wiley ID 792471