3-isothiazolidinone, 2-[4-methoxy-3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]phenyl]-4,4-dimethyl-, 1,1-dioxide

SpectraBase Compound ID	GNviYzRDNO0
InChI	InChI=1S/C20H25N5O6S2/c1-20(2)14-32(27,28)25(18(20)26)15-5-6-16(31-3)17(13-15)33(29,30)24-11-9-23(10-12-24)19-21-7-4-8-22-19/h4-8,13H,9-12,14H2,1-3H3
InChIKey	SWDZMSJYXIEGJV-UHFFFAOYSA-N Google Search
Mol Weight	495.57 g/mol
Molecular Formula	C20H25N5O6S2
Exact Mass	495.124626 g/mol

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SpectraBase Spectrum ID	BrzqDMzm4V5
Name	3-isothiazolidinone, 2-[4-methoxy-3-[[4-(2-pyrimidinyl)-1-piperazinyl]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/C20H25N5O6S2/c1-20(2)14-32(27,28)25(18(20)26)15-5-6-16(31-3)17(13-15)33(29,30)24-11-9-23(10-12-24)19-21-7-4-8-22-19/h4-8,13H,9-12,14H2,1-3H3
InChIKey	SWDZMSJYXIEGJV-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8911
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: F33814; Labnumber: CHEKAN-00672