(1R,3R,4R,5R)-3-Cyano-4-(1'-oxopentyl)-N-(toluene-p-sulfonyl)-2-azabicyclo[3.3.0]octane

SpectraBase Compound ID	7x1OgFIy4gs
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+/m0/s1
InChIKey	AXHVJMAZUYLGBL-HLNWXESRSA-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	77zByvuOi9u
Name	(1R,3R,4R,5R)-3-Cyano-4-(1'-oxopentyl)-N-(toluene-p-sulfonyl)-2-azabicyclo[3.3.0]octane
Copyright	Copyright © 2020-2025 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+/m0/s1
InChIKey	AXHVJMAZUYLGBL-HLNWXESRSA-N
Molecular Weight	374.499 g/mol
SMILES	c1(S(N2[C@]([C@@](C(=O)CCCC)([H])[C@@]3([C@]2(CCC3)[H])[H])(C#N)[H])(=O)=O)ccc(cc1)C
SPLASH	splash10-0006-8809000000-70328bedeee04a55db51
Source of Spectrum	B-57-1064-19
Synonyms	(2R,3R,3aR,6aR)-1-[(4-methylphenyl)sulfonyl]-3-pentanoyloctahydrocyclopenta[b]pyrrole-2-carbonitrile (3R*)-3-Cyano-4-(1'-oxopentyl)-N-(toluene-p-sulfonyl)-2-azabicyclo[3.3.0]octane
Wiley ID	1551508