For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5pTS9ykP7AJ
Name 3-[2-[Benzenesulfonyl(methyl)amino]propanoylamino]benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 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
SMILES C=1C=CC(S(N(C(C(NC2=CC(C(=O)O)=CC=C2)=O)C)C)(=O)=O)=CC1