3-isothiazolidinone, 2-[3-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]-4-methoxyphenyl]-4-methyl-, 1,1-dioxide

SpectraBase Compound ID	3ljlXai2CMA
InChI	InChI=1S/C20H22N2O6S2/c1-14-13-29(24,25)22(20(14)23)16-9-10-18(28-2)19(12-16)30(26,27)21-11-5-7-15-6-3-4-8-17(15)21/h3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3
InChIKey	BGJVPXSCVOBXRQ-UHFFFAOYSA-N Google Search
Mol Weight	450.52 g/mol
Molecular Formula	C20H22N2O6S2
Exact Mass	450.091929 g/mol

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SpectraBase Spectrum ID	9BHSDe1OPAh
Name	3-isothiazolidinone, 2-[3-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]-4-methoxyphenyl]-4-methyl-, 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/C20H22N2O6S2/c1-14-13-29(24,25)22(20(14)23)16-9-10-18(28-2)19(12-16)30(26,27)21-11-5-7-15-6-3-4-8-17(15)21/h3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3
InChIKey	BGJVPXSCVOBXRQ-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8864
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: F33755; Labnumber: CHEKAN-00548