benzoic acid, 2-[[[5-(1,1-dioxido-3-oxo-2-isothiazolidinyl)-2-ethoxyphenyl]sulfonyl]amino]-, methyl ester

SpectraBase Compound ID	JdsvbKKgn1J
InChI	InChI=1S/C19H20N2O8S2/c1-3-29-16-9-8-13(21-18(22)10-11-30(21,24)25)12-17(16)31(26,27)20-15-7-5-4-6-14(15)19(23)28-2/h4-9,12,20H,3,10-11H2,1-2H3
InChIKey	ZOXUYMWWXQTTGW-UHFFFAOYSA-N Google Search
Mol Weight	468.5 g/mol
Molecular Formula	C19H20N2O8S2
Exact Mass	468.066108 g/mol

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SpectraBase Spectrum ID	LRXwKoAshs1
Name	benzoic acid, 2-[[[5-(1,1-dioxido-3-oxo-2-isothiazolidinyl)-2-ethoxyphenyl]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/C19H20N2O8S2/c1-3-29-16-9-8-13(21-18(22)10-11-30(21,24)25)12-17(16)31(26,27)20-15-7-5-4-6-14(15)19(23)28-2/h4-9,12,20H,3,10-11H2,1-2H3
InChIKey	ZOXUYMWWXQTTGW-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_9443
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: F35399; Labnumber: CHEKAN-00880