EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H25N3O4S |
| Net Charge | 0 |
| Average Mass | 403.504 |
| Monoisotopic Mass | 403.15658 |
| SMILES | Cc1cccc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1 |
| InChI | InChI=1S/C20H25N3O4S/c1-16-4-3-5-19(14-16)27-15-20(24)21-17-6-8-18(9-7-17)22-10-12-23(13-11-22)28(2,25)26/h3-9,14H,10-13,15H2,1-2H3,(H,21,24) |
| InChIKey | GQMSBWCCGBBRIS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(3-methylphenoxy)-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]acetamide (CHEBI:106003) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17364 | LINCS |