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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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
Mol Weight 362.4 g/mol
Molecular Formula C17H18N2O5S
Exact Mass 362.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ekpd1xv76Rp
Name 3-[2-[benzenesulfonyl(methyl)amino]propanoylamino]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES N(C(C(N(S(=O)(=O)c1ccccc1)C)C)=O)c1cc(C(=O)O)ccc1
SPLASH splash10-0002-6900000000-f92a769efba3dce76f14
Synonyms 3-[2-[besyl(methyl)amino]propanoylamino]benzoic acid 3-[[2-[benzenesulfonyl(methyl)amino]-1-oxopropyl]amino]benzoic acid
Wiley ID 1451401