EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H27N3O5S |
| Net Charge | 0 |
| Average Mass | 445.541 |
| Monoisotopic Mass | 445.16714 |
| SMILES | Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 |
| InChI | InChI=1S/C22H27N3O5S/c1-16-3-4-17(2)21(13-16)31(27,28)25-9-7-24(8-10-25)15-22(26)23-18-5-6-19-20(14-18)30-12-11-29-19/h3-6,13-14H,7-12,15H2,1-2H3,(H,23,26) |
| InChIKey | LKZBZSWEFWYORE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide (CHEBI:112349) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23761 | LINCS |