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

SpectraBase Compound ID	9nEyKTzeRE9
InChI	InChI=1S/C18H25N3O6S2/c1-13-11-15(21-17(23)18(3,4)12-28(21,24)25)5-6-16(13)29(26,27)20-9-7-19(8-10-20)14(2)22/h5-6,11H,7-10,12H2,1-4H3
InChIKey	OAAHMOVRZBGFOI-UHFFFAOYSA-N Google Search
Mol Weight	443.53 g/mol
Molecular Formula	C18H25N3O6S2
Exact Mass	443.118478 g/mol

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SpectraBase Spectrum ID	9qQXZHPQFaY
Name	3-isothiazolidinone, 2-[4-[(4-acetyl-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/C18H25N3O6S2/c1-13-11-15(21-17(23)18(3,4)12-28(21,24)25)5-6-16(13)29(26,27)20-9-7-19(8-10-20)14(2)22/h5-6,11H,7-10,12H2,1-4H3
InChIKey	OAAHMOVRZBGFOI-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8814
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: F33689; Labnumber: CHEKAN-00332