(3S*)-3-Cyano-4-(1'-oxopentyl)-N-(toluene-p-sulfonyl)-2-azabicyclo[3.3.0]octane

SpectraBase Compound ID	DO8X1bvuzR0
InChI	InChI=1S/C20H26N2O3S/c1-3-4-8-19(23)20-16-6-5-7-17(16)22(18(20)13-21)26(24,25)15-11-9-14(2)10-12-15/h9-12,16-18,20H,3-8H2,1-2H3/t16?,17?,18-,20?/m1/s1
InChIKey	AXHVJMAZUYLGBL-QAELIBMJSA-N Google Search
Mol Weight	374.5 g/mol
Molecular Formula	C20H26N2O3S
Exact Mass	374.166414 g/mol

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SpectraBase Spectrum ID	Ja79FoIpNBC
Name	(3S*)-3-Cyano-4-(1'-oxopentyl)-N-(toluene-p-sulfonyl)-2-azabicyclo[3.3.0]octane
Alternate Name(s)	(2S)-1-[(4-methylphenyl)sulfonyl]-3-pentanoyloctahydrocyclopenta[b]pyrrole-2-carbonitrile
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H26N2O3S
InChI	InChI=1S/C20H26N2O3S/c1-3-4-8-19(23)20-16-6-5-7-17(16)22(18(20)13-21)26(24,25)15-11-9-14(2)10-12-15/h9-12,16-18,20H,3-8H2,1-2H3/t16?,17?,18-,20?/m1/s1
InChIKey	AXHVJMAZUYLGBL-QAELIBMJSA-N
Molecular Weight	374.499 g/mol
SMILES	c1(S(N2[C@@](C(C(=O)CCCC)C3C2CCC3)(C#N)[H])(=O)=O)ccc(cc1)C
SPLASH	splash10-052f-6249000000-a14633644749ce283e05
Source of Spectrum	B-57-1064-20
Wiley ID	1551507