EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H24N2O3S |
| Net Charge | 0 |
| Average Mass | 372.490 |
| Monoisotopic Mass | 372.15076 |
| SMILES | CC=Cc1ccc([C@@H]2[C@H](CO)N[C@H]2CNS(=O)(=O)c2ccccc2)cc1 |
| InChI | InChI=1S/C20H24N2O3S/c1-2-6-15-9-11-16(12-10-15)20-18(22-19(20)14-23)13-21-26(24,25)17-7-4-3-5-8-17/h2-12,18-23H,13-14H2,1H3/t18-,19-,20-/m0/s1 |
| InChIKey | GQSHJUMLNLRKMB-UFYCRDLUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-41846 (CHEBI:130297) is a azetidines (CHEBI:38777) |
| LSM-41846 (CHEBI:130297) is a benzenes (CHEBI:22712) |
| LSM-41846 (CHEBI:130297) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41846 | LINCS |