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

SpectraBase Compound ID	7XDTxAa8HPP
InChI	InChI=1S/C19H20N2O7S2/c1-19(2)12-29(24,25)21(18(19)23)15-8-10-16(11-9-15)30(26,27)20-14-6-4-13(5-7-14)17(22)28-3/h4-11,20H,12H2,1-3H3
InChIKey	LRRDJHXGNQLXCM-UHFFFAOYSA-N Google Search
Mol Weight	452.5 g/mol
Molecular Formula	C19H20N2O7S2
Exact Mass	452.071193 g/mol

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SpectraBase Spectrum ID	7P0RONljoBg
Name	benzoic acid, 4-[[[4-(4,4-dimethyl-1,1-dioxido-3-oxo-2-isothiazolidinyl)phenyl]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/C19H20N2O7S2/c1-19(2)12-29(24,25)21(18(19)23)15-8-10-16(11-9-15)30(26,27)20-14-6-4-13(5-7-14)17(22)28-3/h4-11,20H,12H2,1-3H3
InChIKey	LRRDJHXGNQLXCM-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8781
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: F33645; Labnumber: CHEKAN-00137