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

SpectraBase Compound ID	1EcEL4y4wZF
InChI	InChI=1S/C22H25NO3S/c1-3-16-6-8-17(9-7-16)22-20-13-10-18(14-21(20)24)23(22)27(25,26)19-11-4-15(2)5-12-19/h4-9,11-12,18,20,22H,3,10,13-14H2,1-2H3/t18-,20+,22-/m0/s1
InChIKey	FGWCZRHYLUHWPD-UHFFFAOYSA-N Google Search
Mol Weight	383.51 g/mol
Molecular Formula	C22H25NO3S
Exact Mass	383.155515 g/mol

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SpectraBase Spectrum ID	L7OZ2MnewZd
Name	exo-3-(4-Ethylphenyl)-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	C22H25NO3S
InChI	InChI=1S/C22H25NO3S/c1-3-16-6-8-17(9-7-16)22-20-13-10-18(14-21(20)24)23(22)27(25,26)19-11-4-15(2)5-12-19/h4-9,11-12,18,20,22H,3,10,13-14H2,1-2H3/t18-,20+,22+/m0/s1
InChIKey	FGWCZRHYLUHWPD-UHFFFAOYSA-N
Molecular Weight	383.506 g/mol
SMILES	[C@]1(N(S(c2ccc(cc2)C)(=O)=O)[C@]2(CC[C@@]1(C(C2)=O)[H])[H])(c1ccc(cc1)CC)[H]
SPLASH	splash10-0059-0095000000-b0858f4020a4e69f754a
Source of Spectrum	U1-2002-3675-5
Synonyms	endo-3-(4-Ethylphenyl)-2-(4-tolylsulfonyl)-2-azabicyclo[2.2.2]octan-5-one 3-(4-ethylphenyl)-2-[(4-methylphenyl)sulfonyl]-2-azabicyclo[2.2.2]octan-5-one
Wiley ID	1523415