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

SpectraBase Compound ID	vE312Rtqt4
InChI	InChI=1S/C20H25N5O5S2/c1-15-13-16(25-18(26)20(2,3)14-31(25,27)28)5-6-17(15)32(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	BQSQVYGITIDKNI-UHFFFAOYSA-N Google Search
Mol Weight	479.57 g/mol
Molecular Formula	C20H25N5O5S2
Exact Mass	479.129711 g/mol

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SpectraBase Spectrum ID	7tvwkrqYaOV
Name	3-isothiazolidinone, 4,4-dimethyl-2-[3-methyl-4-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]phenyl]-, 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/C20H25N5O5S2/c1-15-13-16(25-18(26)20(2,3)14-31(25,27)28)5-6-17(15)32(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	BQSQVYGITIDKNI-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8830
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: F33706; Labnumber: CHEKAN-00384