EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H24FN3O5S |
| Net Charge | 0 |
| Average Mass | 461.515 |
| Monoisotopic Mass | 461.14207 |
| SMILES | O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccc(F)cc1 |
| InChI | InChI=1S/C22H24FN3O5S/c23-17-6-4-16(5-7-17)13-24-21(27)14-26-19-12-18(8-9-20(19)31-15-22(26)28)32(29,30)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13-15H2,(H,24,27) |
| InChIKey | GTLAKEZRKNIXKK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(4-fluorophenyl)methyl]-2-[3-oxo-6-(1-piperidinylsulfonyl)-1,4-benzoxazin-4-yl]acetamide (CHEBI:104946) is a benzoxazine (CHEBI:46969) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16309 | LINCS |