5-[[(E)-C-(4-chlorophenyl)-N-(4-methylphenyl)sulfonyl-carbonimidoyl]amino]-2-oxidanyl-benzoic acid

SpectraBase Compound ID	9CF2uXtwVhd
InChI	InChI=1S/C21H17ClN2O5S/c1-13-2-9-17(10-3-13)30(28,29)24-20(14-4-6-15(22)7-5-14)23-16-8-11-19(25)18(12-16)21(26)27/h2-12,25H,1H3,(H,23,24)(H,26,27)
InChIKey	XTUATXDCUJNOAC-UHFFFAOYSA-N Google Search
Mol Weight	444.89 g/mol
Molecular Formula	C21H17ClN2O5S
Exact Mass	444.054671 g/mol

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SpectraBase Spectrum ID	9dCZhvAp4GG
Name	benzoic acid, 5-[[(E)-(4-chlorophenyl)[[(4-methylphenyl)sulfonyl]imino]methyl]amino]-2-hydroxy-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	444.054670524 u
Formula	C21H17ClN2O5S
InChI	InChI=1S/C21H17ClN2O5S/c1-13-2-9-17(10-3-13)30(28,29)24-20(14-4-6-15(22)7-5-14)23-16-8-11-19(25)18(12-16)21(26)27/h2-12,25H,1H3,(H,23,24)(H,26,27)
InChIKey	XTUATXDCUJNOAC-UHFFFAOYSA-N
Molecular Weight	444.889 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_16048
Solvent	DMSO-d6
Source	Vendor ID: ZI/10038215; Lab Info: DUB; Lab Number: DUB-AAR0108