EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H19N3O4S2 |
| Net Charge | 0 |
| Average Mass | 453.545 |
| Monoisotopic Mass | 453.08170 |
| SMILES | CN(c1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1)S(=O)(=O)c1ccccc1 |
| InChI | InChI=1S/C22H19N3O4S2/c1-25(31(27,28)18-7-3-2-4-8-18)16-11-13-17(14-12-16)29-15-21(26)24-22-23-19-9-5-6-10-20(19)30-22/h2-14H,15H2,1H3,(H,23,24,26) |
| InChIKey | KTSIKAWLVZSOAW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(1,3-benzothiazol-2-yl)acetamide (CHEBI:109559) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20987 | LINCS |