| SpectraBase Spectrum ID |
CZfIt4zSa9N |
| Name |
4-Methoxy-8-(4-methylphenyl)sulfonyloxy-9H-pyrido[3,4-B]indole-1-carboxylic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.088557476 u |
| Formula |
C21H18N2O6S |
| InChI |
InChI=1S/C21H18N2O6S/c1-12-7-9-13(10-8-12)30(25,26)29-15-6-4-5-14-17-16(27-2)11-22-20(21(24)28-3)19(17)23-18(14)15/h4-11,23H,1-3H3 |
| InChIKey |
ZFRKSFFIKMQUNN-UHFFFAOYSA-N |
| Molecular Weight |
426.443 g/mol |
| SMILES |
C=1(OS(C=2C=CC(=CC2)C)(=O)=O)C=2NC=3C(=NC=C(C3C2C=CC1)OC)C(=O)OC |
![4-methoxy-8-(4-methylphenyl)sulfonyloxy-9H-pyrido[3,4-b]indole-1-carboxylic acid methyl ester](/api/spectrum/CZfIt4zSa9N/structure.png?h=300&w=458 "4-methoxy-8-(4-methylphenyl)sulfonyloxy-9H-pyrido[3,4-b]indole-1-carboxylic acid methyl ester")
