EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H28N2O3S |
| Net Charge | 0 |
| Average Mass | 388.533 |
| Monoisotopic Mass | 388.18206 |
| SMILES | Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C(C)C)ccc3O)CC2)cc1 |
| InChI | InChI=1S/C21H28N2O3S/c1-16(2)18-6-9-21(24)19(14-18)15-22-10-12-23(13-11-22)27(25,26)20-7-4-17(3)5-8-20/h4-9,14,16,24H,10-13,15H2,1-3H3 |
| InChIKey | IYJLDWAHRRCHFK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-propan-2-ylphenol (CHEBI:116716) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28169 | LINCS |