| SpectraBase Spectrum ID |
4K3izwiaYEo |
| Name |
5-{6-Methyl-1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl}-4-oxopentanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21NO5S |
| InChI |
InChI=1S/C21H21NO5S/c1-14-4-8-19(9-5-14)28(26,27)22-17(13-18(23)7-10-21(24)25)12-16-6-3-15(2)11-20(16)22/h3-6,8-9,11-12H,7,10,13H2,1-2H3,(H,24,25) |
| InChIKey |
SFIWLBKEDJSIOB-UHFFFAOYSA-N |
| Molecular Weight |
399.461 g/mol |
| SMILES |
OC(CCC(Cc1[n](S(c2ccc(cc2)C)(=O)=O)c2c(ccc(c2)C)c1)=O)=O |
| SPLASH |
splash10-0006-3920000000-0c8edae007499c33af6b |
| Source of Spectrum |
F-68-625-13b |
| Wiley ID |
1707448 |
![5-{6-Methyl-1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl}-4-oxopentanoic acid](/api/spectrum/4K3izwiaYEo/structure.png?h=300&w=458 "5-{6-Methyl-1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl}-4-oxopentanoic acid")
