EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H24N2O6S |
| Net Charge | 0 |
| Average Mass | 444.509 |
| Monoisotopic Mass | 444.13551 |
| SMILES | COc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3C)oc2C)c1 |
| InChI | InChI=1S/C22H24N2O6S/c1-14-7-5-6-8-17(14)22-24-19(15(2)30-22)12-31(26,27)13-21(25)23-18-11-16(28-3)9-10-20(18)29-4/h5-11H,12-13H2,1-4H3,(H,23,25) |
| InChIKey | PASLVDANCAJCEE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2,5-dimethoxyphenyl)-2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfonyl]acetamide (CHEBI:121836) is a 1,3-oxazoles (CHEBI:46812) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33279 | LINCS |