3-[2-[benzenesulfonyl(methyl)amino]propanoylamino]benzoic acid

SpectraBase Compound ID	7r1R3P3ajBG
InChI	InChI=1S/C17H18N2O5S/c1-12(19(2)25(23,24)15-9-4-3-5-10-15)16(20)18-14-8-6-7-13(11-14)17(21)22/h3-12H,1-2H3,(H,18,20)(H,21,22)
InChIKey	ADSSOYKVGCLWTR-UHFFFAOYSA-N Google Search
Mol Weight	362.4 g/mol
Molecular Formula	C17H18N2O5S
Exact Mass	362.093643 g/mol

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SpectraBase Spectrum ID	71PRha8ppwr
Name	benzoic acid, 3-[[2-[methyl(phenylsulfonyl)amino]-1-oxopropyl]amino]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	362.093642857 u
Formula	C17H18N2O5S
InChI	InChI=1S/C17H18N2O5S/c1-12(19(2)25(23,24)15-9-4-3-5-10-15)16(20)18-14-8-6-7-13(11-14)17(21)22/h3-12H,1-2H3,(H,18,20)(H,21,22)
InChIKey	ADSSOYKVGCLWTR-UHFFFAOYSA-N
Molecular Weight	362.400 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_10808
Solvent	DMSO-d6
Source	Vendor ID: NMR/10252801; Lab Info: SP; Lab Number: SP-X000456