(2S,.alpha.R)-1-(1-Phenyl-2-hydroxyethyl)-2-[1-(phenylsulfonyl)-3-indolyl]-4-methylene-piperidine

SpectraBase Compound ID	3sWbcOYUbC0
InChI	InChI=1S/C28H28N2O3S/c1-21-16-17-29(28(20-31)22-10-4-2-5-11-22)27(18-21)25-19-30(26-15-9-8-14-24(25)26)34(32,33)23-12-6-3-7-13-23/h2-15,19,27-28,31H,1,16-18,20H2/t27-,28-/m0/s1
InChIKey	ZHHZXGJYNKUEAL-NSOVKSMOSA-N Google Search
Mol Weight	472.6 g/mol
Molecular Formula	C28H28N2O3S
Exact Mass	472.182064 g/mol

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SpectraBase Spectrum ID	KM1ej8YSbT5
Name	(2S,.alpha.R)-1-(1-Phenyl-2-hydroxyethyl)-2-[1-(phenylsulfonyl)-3-indolyl]-4-methylene-piperidine
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	472.182063941 u
Formula	C28H28N2O3S
InChI	InChI=1S/C28H28N2O3S/c1-21-16-17-29(28(20-31)22-10-4-2-5-11-22)27(18-21)25-19-30(26-15-9-8-14-24(25)26)34(32,33)23-12-6-3-7-13-23/h2-15,19,27-28,31H,1,16-18,20H2/t27-,28-/m0/s1
InChIKey	ZHHZXGJYNKUEAL-NSOVKSMOSA-N
Molecular Weight	472.603 g/mol
SMILES	C1(S(N2C=C([C@]3(N([C@](C=4C=CC=CC4)(CO)[H])CCC(C3)=C)[H])C3=C2C=CC=C3)(=O)=O)=CC=CC=C1