benzoic acid, 4-[[[4-[(4-chlorophenyl)sulfonyl]-1-piperazinyl]acetyl]amino]-, methyl ester

SpectraBase Compound ID	5j5rtcsKcTB
InChI	InChI=1S/C20H22ClN3O5S/c1-29-20(26)15-2-6-17(7-3-15)22-19(25)14-23-10-12-24(13-11-23)30(27,28)18-8-4-16(21)5-9-18/h2-9H,10-14H2,1H3,(H,22,25)
InChIKey	RMDUNWXPKPZPSC-UHFFFAOYSA-N Google Search
Mol Weight	451.93 g/mol
Molecular Formula	C20H22ClN3O5S
Exact Mass	451.09687 g/mol

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SpectraBase Spectrum ID	JyBdFtI1zJg
Name	benzoic acid, 4-[[[4-[(4-chlorophenyl)sulfonyl]-1-piperazinyl]acetyl]amino]-, methyl 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/C20H22ClN3O5S/c1-29-20(26)15-2-6-17(7-3-15)22-19(25)14-23-10-12-24(13-11-23)30(27,28)18-8-4-16(21)5-9-18/h2-9H,10-14H2,1H3,(H,22,25)
InChIKey	RMDUNWXPKPZPSC-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_6162
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: NMR/11308452