4-[({[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]benzoic acid

SpectraBase Compound ID	8q3t9xRAXhW
InChI	InChI=1S/C22H20N2O5S/c1-16-7-13-20(14-8-16)30(28,29)24(19-5-3-2-4-6-19)15-21(25)23-18-11-9-17(10-12-18)22(26)27/h2-14H,15H2,1H3,(H,23,25)(H,26,27)
InChIKey	MLMUOFBNQHDNNQ-UHFFFAOYSA-N Google Search
Mol Weight	424.47 g/mol
Molecular Formula	C22H20N2O5S
Exact Mass	424.109293 g/mol

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SpectraBase Spectrum ID	4CWSM5kqvP5
Name	4-[({[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]benzoic acid
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/C22H20N2O5S/c1-16-7-13-20(14-8-16)30(28,29)24(19-5-3-2-4-6-19)15-21(25)23-18-11-9-17(10-12-18)22(26)27/h2-14H,15H2,1H3,(H,23,25)(H,26,27)
InChIKey	MLMUOFBNQHDNNQ-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_7529_2423
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/9213787; Labnumber: AI-S000351
Temperature	303 °C