3-[[[1-(4-methylphenylsulfonyl)amino]-2-phenylethyl]carbonylamino]phenyl (methylthio)ethanoate

SpectraBase Compound ID	9mf0K4pAxWa
InChI	InChI=1S/C25H26N2O5S2/c1-18-11-13-22(14-12-18)34(30,31)27-23(15-19-7-4-3-5-8-19)25(29)26-20-9-6-10-21(16-20)32-24(28)17-33-2/h3-14,16,23,27H,15,17H2,1-2H3,(H,26,29)
InChIKey	OEPBQELRRRZIGV-UHFFFAOYSA-N Google Search
Mol Weight	498.61 g/mol
Molecular Formula	C25H26N2O5S2
Exact Mass	498.128314 g/mol

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SpectraBase Spectrum ID	Jb5GJL6Xij6
Name	3-[[[1-(4-methylphenylsulfonyl)amino]-2-phenylethyl]carbonylamino]phenyl (methylthio)ethanoate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	498.128314288 u
Formula	C25H26N2O5S2
InChI	InChI=1S/C25H26N2O5S2/c1-18-11-13-22(14-12-18)34(30,31)27-23(15-19-7-4-3-5-8-19)25(29)26-20-9-6-10-21(16-20)32-24(28)17-33-2/h3-14,16,23,27H,15,17H2,1-2H3,(H,26,29)
InChIKey	OEPBQELRRRZIGV-UHFFFAOYSA-N
Molecular Weight	498.612 g/mol
SMILES	CSCC(OC=1C=CC=C(NC(C(NS(C2=CC=C(C=C2)C)(=O)=O)CC=2C=CC=CC2)=O)C1)=O