1-piperazinecarboxylic acid, 4-[[4-(4,4-dimethyl-1,1-dioxido-3-oxo-2-isothiazolidinyl)phenyl]sulfonyl]-, ethyl ester

SpectraBase Compound ID	4VuYy3tnHU4
InChI	InChI=1S/C18H25N3O7S2/c1-4-28-17(23)19-9-11-20(12-10-19)30(26,27)15-7-5-14(6-8-15)21-16(22)18(2,3)13-29(21,24)25/h5-8H,4,9-13H2,1-3H3
InChIKey	HMFRZDMFLUAHOC-UHFFFAOYSA-N Google Search
Mol Weight	459.53 g/mol
Molecular Formula	C18H25N3O7S2
Exact Mass	459.113392 g/mol

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SpectraBase Spectrum ID	1pWsqBKjm80
Name	1-piperazinecarboxylic acid, 4-[[4-(4,4-dimethyl-1,1-dioxido-3-oxo-2-isothiazolidinyl)phenyl]sulfonyl]-, ethyl ester
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/C18H25N3O7S2/c1-4-28-17(23)19-9-11-20(12-10-19)30(26,27)15-7-5-14(6-8-15)21-16(22)18(2,3)13-29(21,24)25/h5-8H,4,9-13H2,1-3H3
InChIKey	HMFRZDMFLUAHOC-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8753
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: F33609; Labnumber: CHEKAN-00058