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

SpectraBase Compound ID	lpKkJzzsEX
InChI	InChI=1S/C21H24ClN3O5S2/c1-21(2)15-31(27,28)25(20(21)26)17-6-8-19(9-7-17)32(29,30)24-12-10-23(11-13-24)18-5-3-4-16(22)14-18/h3-9,14H,10-13,15H2,1-2H3
InChIKey	FQICXKFWEZTSBB-UHFFFAOYSA-N Google Search
Mol Weight	498.01 g/mol
Molecular Formula	C21H24ClN3O5S2
Exact Mass	497.084591 g/mol

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SpectraBase Spectrum ID	Led4tkrL9rn
Name	3-isothiazolidinone, 2-[4-[[4-(3-chlorophenyl)-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/C21H24ClN3O5S2/c1-21(2)15-31(27,28)25(20(21)26)17-6-8-19(9-7-17)32(29,30)24-12-10-23(11-13-24)18-5-3-4-16(22)14-18/h3-9,14H,10-13,15H2,1-2H3
InChIKey	FQICXKFWEZTSBB-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8755
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: F33611; Labnumber: CHEKAN-00062