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

SpectraBase Compound ID	9h1St4mhcn1
InChI	InChI=1S/C21H25N3O5S2/c1-16-14-19(24-21(25)17(2)15-30(24,26)27)8-9-20(16)31(28,29)23-12-10-22(11-13-23)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3
InChIKey	JXQJPHIWWUCQJD-UHFFFAOYSA-N Google Search
Mol Weight	463.57 g/mol
Molecular Formula	C21H25N3O5S2
Exact Mass	463.123563 g/mol

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SpectraBase Spectrum ID	CFzXwFHuKPT
Name	3-isothiazolidinone, 4-methyl-2-[3-methyl-4-[(4-phenyl-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/C21H25N3O5S2/c1-16-14-19(24-21(25)17(2)15-30(24,26)27)8-9-20(16)31(28,29)23-12-10-22(11-13-23)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3
InChIKey	JXQJPHIWWUCQJD-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8801
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: F33668; Labnumber: CHEKAN-00203