exo-3-(4-Methoxyphenyl)-2-(4-tolylsulfonyl)-2-azabicyclo[2.2.2]octan-5-one

SpectraBase Compound ID	I9DRGD78DEk
InChI	InChI=1S/C21H23NO4S/c1-14-3-10-18(11-4-14)27(24,25)22-16-7-12-19(20(23)13-16)21(22)15-5-8-17(26-2)9-6-15/h3-6,8-11,16,19,21H,7,12-13H2,1-2H3/t16-,19+,21-/m0/s1
InChIKey	SPWAKDOPANMZLM-UHFFFAOYSA-N Google Search
Mol Weight	385.48 g/mol
Molecular Formula	C21H23NO4S
Exact Mass	385.134779 g/mol

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SpectraBase Spectrum ID	EHgiSIhdzbR
Name	exo-3-(4-Methoxyphenyl)-2-(4-tolylsulfonyl)-2-azabicyclo[2.2.2]octan-5-one
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H23NO4S
InChI	InChI=1S/C21H23NO4S/c1-14-3-10-18(11-4-14)27(24,25)22-16-7-12-19(20(23)13-16)21(22)15-5-8-17(26-2)9-6-15/h3-6,8-11,16,19,21H,7,12-13H2,1-2H3/t16-,19+,21-/m0/s1
InChIKey	SPWAKDOPANMZLM-UHFFFAOYSA-N
Molecular Weight	385.478 g/mol
SMILES	[C@@]1(N(S(c2ccc(cc2)C)(=O)=O)[C@]2(CC[C@@]1(C(C2)=O)[H])[H])(c1ccc(cc1)OC)[H]
SPLASH	splash10-001i-0094000000-ab407b1dd8607f6fdc77
Source of Spectrum	U1-2002-3675-5
Synonyms	endo-3-(4-Methoxyphenyl)-2-(4-tolylsulfonyl)-2-azabicyclo[2.2.2]octan-5-one 3-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonyl]-2-azabicyclo[2.2.2]octan-5-one
Wiley ID	1523411