EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H19N3O6S2 |
| Net Charge | 0 |
| Average Mass | 449.510 |
| Monoisotopic Mass | 449.07153 |
| SMILES | O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 |
| InChI | InChI=1S/C19H19N3O6S2/c23-18(13-22-19(24)16-5-1-2-6-17(16)30(22,27)28)20-14-7-9-15(10-8-14)29(25,26)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,23) |
| InChIKey | NVTIIEDNXCIXRE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CHEBI:108186) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19563 | LINCS |