| SpectraBase Spectrum ID |
3tBiHV94CS2 |
| Name |
5-{6-Chloro-1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl}-4-oxopentanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H18ClNO5S |
| InChI |
InChI=1S/C20H18ClNO5S/c1-13-2-7-18(8-3-13)28(26,27)22-16(12-17(23)6-9-20(24)25)10-14-4-5-15(21)11-19(14)22/h2-5,7-8,10-11H,6,9,12H2,1H3,(H,24,25) |
| InChIKey |
BVPNVMMPVFMTES-UHFFFAOYSA-N |
| Molecular Weight |
419.879 g/mol |
| SMILES |
OC(CCC(Cc1[n](S(c2ccc(cc2)C)(=O)=O)c2c(ccc(c2)Cl)c1)=O)=O |
| SPLASH |
splash10-03xu-7902000000-ffebd49f951f9507d4e1 |
| Source of Spectrum |
F-68-625-13a |
| Wiley ID |
1707449 |
![5-{6-Chloro-1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl}-4-oxopentanoic acid](/api/spectrum/3tBiHV94CS2/structure.png?h=300&w=458 "5-{6-Chloro-1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl}-4-oxopentanoic acid")
