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

SpectraBase Compound ID	73mjgY4ZaTx
InChI	InChI=1S/C20H20N2O5S/c1-13-2-9-17(10-3-13)28(26,27)21-16-8-11-18(19(23)12-16)20(21)14-4-6-15(7-5-14)22(24)25/h2-7,9-10,16,18,20H,8,11-12H2,1H3/t16-,18?,20?/m0/s1
InChIKey	YROIDASXRLYPRI-UHFFFAOYSA-N Google Search
Mol Weight	400.45 g/mol
Molecular Formula	C20H20N2O5S
Exact Mass	400.109293 g/mol

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SpectraBase Spectrum ID	Lg9i5PtwRqx
Name	endo-3-(4-Nitrophenyl)-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	C20H20N2O5S
InChI	InChI=1S/C20H20N2O5S/c1-13-2-9-17(10-3-13)28(26,27)21-16-8-11-18(19(23)12-16)20(21)14-4-6-15(7-5-14)22(24)25/h2-7,9-10,16,18,20H,8,11-12H2,1H3/t16-,18+,20+/m0/s1
InChIKey	YROIDASXRLYPRI-UHFFFAOYSA-N
Molecular Weight	400.449 g/mol
SMILES	[C@]1(N(S(c2ccc(cc2)C)(=O)=O)[C@]2(CC[C@@]1(C(C2)=O)[H])[H])(c1ccc(N(=O)=O)cc1)[H]
SPLASH	splash10-0002-0090000000-60744d2baa3abd37cfca
Source of Spectrum	U1-2002-3676-5
Synonyms	exo-3-(4-Nitrophenyl)-2-(4-tolylsulfonyl)-2-azabicyclo[2.2.2]octan-5-one 2-[(4-methylphenyl)sulfonyl]-3-(4-nitrophenyl)-2-azabicyclo[2.2.2]octan-5-one
Wiley ID	1523406