EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H24N2O3S |
| Net Charge | 0 |
| Average Mass | 384.501 |
| Monoisotopic Mass | 384.15076 |
| SMILES | CC=Cc1ccc(C2[C@@H]3CN(S(=O)(=O)c4cccc(OC)c4)C[C@H]2N3)cc1 |
| InChI | InChI=1S/C21H24N2O3S/c1-3-5-15-8-10-16(11-9-15)21-19-13-23(14-20(21)22-19)27(24,25)18-7-4-6-17(12-18)26-2/h3-12,19-22H,13-14H2,1-2H3/t19-,20+,21? |
| InChIKey | IHUBTMAANNXXMR-WCRBZPEASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36483 (CHEBI:125021) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36483 | LINCS |