3'-[1-Hydroxy-2-(methylamino)ethyl]-p-toluenesulfonanilide, p-toluenesulfonate

SpectraBase Compound ID	1MWhoqWNuzI
InChI	InChI=1S/C16H20N2O3S.C7H8O3S/c1-12-6-8-15(9-7-12)22(20,21)18-14-5-3-4-13(10-14)16(19)11-17-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-10,16-19H,11H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey	PSZSFPIHHRGIAQ-UHFFFAOYSA-N Google Search
Mol Weight	492.6 g/mol
Molecular Formula	C23H28N2O6S2
Exact Mass	492.138879 g/mol

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SpectraBase Spectrum ID	8XKmnMhOi8
Name	3'-[1-Hydroxy-2-(methylamino)ethyl]-p-toluenesulfonanilide, p-toluenesulfonate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	492.138878972 u
Formula	C23H28N2O6S2
InChI	InChI=1S/C16H20N2O3S.C7H8O3S/c1-12-6-8-15(9-7-12)22(20,21)18-14-5-3-4-13(10-14)16(19)11-17-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-10,16-19H,11H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey	PSZSFPIHHRGIAQ-UHFFFAOYSA-N
Molecular Weight	492.605 g/mol
SMILES	OS(C1=CC=C(C=C1)C)(=O)=O.N(C=1C=CC=C(C(CNC)O)C1)S(=O)(=O)C=1C=CC(=CC1)C