| SpectraBase Spectrum ID |
JQI5i7uEiZq |
| Name |
2-[(4-Methylphenyl)sulfonyl-(phenylmethyl)amino]-2-phenyl-ethanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.119129330 u |
| Formula |
C22H21NO4S |
| InChI |
InChI=1S/C22H21NO4S/c1-17-12-14-20(15-13-17)28(26,27)23(16-18-8-4-2-5-9-18)21(22(24)25)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,24,25) |
| InChIKey |
DFENPZJVAUERBR-UHFFFAOYSA-N |
| Molecular Weight |
395.473 g/mol |
| SMILES |
C(N(S(C1=CC=C(C=C1)C)(=O)=O)CC=1C=CC=CC1)(C(=O)O)C=1C=CC=CC1 |
![2-[(4-Methylphenyl)sulfonyl-(phenylmethyl)amino]-2-phenyl-ethanoic acid](/api/spectrum/JQI5i7uEiZq/structure.png?h=300&w=458 "2-[(4-Methylphenyl)sulfonyl-(phenylmethyl)amino]-2-phenyl-ethanoic acid")
