Tert-Butyl [(diphenylmethylene)amino](2-{[(4-methylphenyl)sulfonyl]amino}- cyclopentyl) acetate

SpectraBase Compound ID	FQEOjoLBh2u
InChI	InChI=1S/C31H36N2O4S/c1-22-18-20-25(21-19-22)38(35,36)33-27-17-11-16-26(27)29(30(34)37-31(2,3)4)32-28(23-12-7-5-8-13-23)24-14-9-6-10-15-24/h5-10,12-15,18-21,26-27,29,33H,11,16-17H2,1-4H3/t26-,27-,29-/m1/s1
InChIKey	OBVYINNTTIPHBK-LSMIHOHGSA-N Google Search
Mol Weight	532.7 g/mol
Molecular Formula	C31H36N2O4S
Exact Mass	532.239579 g/mol

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SpectraBase Spectrum ID	C9lUtKML1uE
Name	Tert-Butyl [(diphenylmethylene)amino](2-{[(4-methylphenyl)sulfonyl]amino}- cyclopentyl) acetate
Alternate Name(s)	(R)-tert-butyl 2-((diphenylmethylene)amino)-2-((1S,2R)-2-(4-methylphenylsulfonamido)cyclopentyl)acetate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H36N2O4S
InChI	InChI=1S/C31H36N2O4S/c1-22-18-20-25(21-19-22)38(35,36)33-27-17-11-16-26(27)29(30(34)37-31(2,3)4)32-28(23-12-7-5-8-13-23)24-14-9-6-10-15-24/h5-10,12-15,18-21,26-27,29,33H,11,16-17H2,1-4H3/t26-,27-,29-/m1/s1
InChIKey	OBVYINNTTIPHBK-LSMIHOHGSA-N
Literature Reference DOI	10.1021/ol7015302
Molecular Weight	532.699 g/mol
SMILES	N([C@]1([C@](CCC1)([H])[C@@](C(OC(C)(C)C)=O)([H])N=C(c1ccccc1)c1ccccc1)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH	splash10-01zc-4698620000-baced1b4ef76a89f8ec5
Source of Spectrum	A1-9-4677/SM10-3k
Wiley ID	1758572