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

SpectraBase Compound ID	6SOhoe6fC4M
InChI	InChI=1S/C21H26N4O5S2/c1-16-14-17(25-20(26)21(2,3)15-31(25,27)28)7-8-18(16)32(29,30)24-12-10-23(11-13-24)19-6-4-5-9-22-19/h4-9,14H,10-13,15H2,1-3H3
InChIKey	NEPXCQLTWFPTSL-UHFFFAOYSA-N Google Search
Mol Weight	478.58 g/mol
Molecular Formula	C21H26N4O5S2
Exact Mass	478.134462 g/mol

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SpectraBase Spectrum ID	IlUFIgxjaBs
Name	3-isothiazolidinone, 4,4-dimethyl-2-[3-methyl-4-[[4-(2-pyridinyl)-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/C21H26N4O5S2/c1-16-14-17(25-20(26)21(2,3)15-31(25,27)28)7-8-18(16)32(29,30)24-12-10-23(11-13-24)19-6-4-5-9-22-19/h4-9,14H,10-13,15H2,1-3H3
InChIKey	NEPXCQLTWFPTSL-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8829
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: F33705; Labnumber: CHEKAN-00383