3-isothiazolidinone, 2-[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]phenyl]-4,4-dimethyl-, 1,1-dioxide

SpectraBase Compound ID	1WF3QkM2UD7
InChI	InChI=1S/C20H22N2O5S2/c1-20(2)14-28(24,25)22(19(20)23)17-7-9-18(10-8-17)29(26,27)21-12-11-15-5-3-4-6-16(15)13-21/h3-10H,11-14H2,1-2H3
InChIKey	MYYJQIFWOIASKG-UHFFFAOYSA-N Google Search
Mol Weight	434.53 g/mol
Molecular Formula	C20H22N2O5S2
Exact Mass	434.097014 g/mol

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SpectraBase Spectrum ID	F79jP37iYOc
Name	3-isothiazolidinone, 2-[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]phenyl]-4,4-dimethyl-, 1,1-dioxide
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/C20H22N2O5S2/c1-20(2)14-28(24,25)22(19(20)23)17-7-9-18(10-8-17)29(26,27)21-12-11-15-5-3-4-6-16(15)13-21/h3-10H,11-14H2,1-2H3
InChIKey	MYYJQIFWOIASKG-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8740
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: F33595; Labnumber: CHEKAN-00031