3-isothiazolidinone, 2-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-3-methylphenyl]-4,4-dimethyl-, 1,1-dioxide

SpectraBase Compound ID	GuoQAvkZ1Wy
InChI	InChI=1S/C22H26FN3O5S2/c1-16-14-17(26-21(27)22(2,3)15-32(26,28)29)8-9-20(16)33(30,31)25-12-10-24(11-13-25)19-7-5-4-6-18(19)23/h4-9,14H,10-13,15H2,1-3H3
InChIKey	JMYASPPWCRPJDZ-UHFFFAOYSA-N Google Search
Mol Weight	495.58 g/mol
Molecular Formula	C22H26FN3O5S2
Exact Mass	495.129791 g/mol

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SpectraBase Spectrum ID	D2PRtYpI3JX
Name	3-isothiazolidinone, 2-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-3-methylphenyl]-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/C22H26FN3O5S2/c1-16-14-17(26-21(27)22(2,3)15-32(26,28)29)8-9-20(16)33(30,31)25-12-10-24(11-13-25)19-7-5-4-6-18(19)23/h4-9,14H,10-13,15H2,1-3H3
InChIKey	JMYASPPWCRPJDZ-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8828
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: F33704; Labnumber: CHEKAN-00381