EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H23ClN2O3S |
| Net Charge | 0 |
| Average Mass | 430.957 |
| Monoisotopic Mass | 430.11179 |
| SMILES | NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2)cc1 |
| InChI | InChI=1S/C22H23ClN2O3S/c23-20-8-11-22(28-16-18-4-2-1-3-5-18)19(14-20)15-25-13-12-17-6-9-21(10-7-17)29(24,26)27/h1-11,14,25H,12-13,15-16H2,(H2,24,26,27) |
| InChIKey | JOFPPGQIKAPUQO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[2-[(5-chloro-2-phenylmethoxyphenyl)methylamino]ethyl]benzenesulfonamide (CHEBI:104040) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15398 | LINCS |