endo-3-(4-Chlorophenyl)-2-(4-tolylsulfonyl)-2-azabicyclo[2.2.2]octan-5-one

SpectraBase Compound ID	8jKe9zfgChH
InChI	InChI=1S/C20H20ClNO3S/c1-13-2-9-17(10-3-13)26(24,25)22-16-8-11-18(19(23)12-16)20(22)14-4-6-15(21)7-5-14/h2-7,9-10,16,18,20H,8,11-12H2,1H3/t16-,18+,20-/m0/s1
InChIKey	YNSAODKTVIWMKU-UHFFFAOYSA-N Google Search
Mol Weight	389.9 g/mol
Molecular Formula	C20H20ClNO3S
Exact Mass	389.085242 g/mol

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SpectraBase Spectrum ID	4Vhgy3JVgI3
Name	endo-3-(4-Chlorophenyl)-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	C20H20ClNO3S
InChI	InChI=1S/C20H20ClNO3S/c1-13-2-9-17(10-3-13)26(24,25)22-16-8-11-18(19(23)12-16)20(22)14-4-6-15(21)7-5-14/h2-7,9-10,16,18,20H,8,11-12H2,1H3/t16-,18+,20-/m0/s1
InChIKey	YNSAODKTVIWMKU-UHFFFAOYSA-N
Molecular Weight	389.897 g/mol
SMILES	[C@@]1(N(S(c2ccc(cc2)C)(=O)=O)[C@]2(CC[C@@]1(C(C2)=O)[H])[H])(c1ccc(cc1)Cl)[H]
SPLASH	splash10-001i-0092000000-31041c8765c392682316
Source of Spectrum	U1-2002-3675-5
Synonyms	exo-3-(4-Chlorophenyl)-2-(4-tolylsulfonyl)-2-azabicyclo[2.2.2]octan-5-one 3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonyl]-2-azabicyclo[2.2.2]octan-5-one
Wiley ID	1523420