benzoic acid, 4-[[[4-(4,4-dimethyl-1,1-dioxido-3-oxo-2-isothiazolidinyl)-2-methylphenyl]sulfonyl]amino]-, methyl ester

SpectraBase Compound ID	5KfIP8lJleJ
InChI	InChI=1S/C20H22N2O7S2/c1-13-11-16(22-19(24)20(2,3)12-30(22,25)26)9-10-17(13)31(27,28)21-15-7-5-14(6-8-15)18(23)29-4/h5-11,21H,12H2,1-4H3
InChIKey	JAGWCIZNLGIVHH-UHFFFAOYSA-N Google Search
Mol Weight	466.52 g/mol
Molecular Formula	C20H22N2O7S2
Exact Mass	466.086843 g/mol

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SpectraBase Spectrum ID	GJnpNF6IZkJ
Name	benzoic acid, 4-[[[4-(4,4-dimethyl-1,1-dioxido-3-oxo-2-isothiazolidinyl)-2-methylphenyl]sulfonyl]amino]-, methyl ester
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C20H22N2O7S2/c1-13-11-16(22-19(24)20(2,3)12-30(22,25)26)9-10-17(13)31(27,28)21-15-7-5-14(6-8-15)18(23)29-4/h5-11,21H,12H2,1-4H3
InChIKey	JAGWCIZNLGIVHH-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8835
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: F33713; Labnumber: CHEKAN-00453