EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H25FN2O3S |
| Net Charge | 0 |
| Average Mass | 404.507 |
| Monoisotopic Mass | 404.15699 |
| SMILES | CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(F)cc1 |
| InChI | InChI=1S/C21H25FN2O3S/c1-2-28(26,27)23-14-21(15-23)20(17-6-4-3-5-7-17)19(13-25)24(21)12-16-8-10-18(22)11-9-16/h3-11,19-20,25H,2,12-15H2,1H3/t19-,20-/m1/s1 |
| InChIKey | ZAJITYGKPNYIKO-WOJBJXKFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2S,3R)-6-ethylsulfonyl-1-[(4-fluorophenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:126674) is a azetidines (CHEBI:38777) |
| [(2S,3R)-6-ethylsulfonyl-1-[(4-fluorophenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:126674) is a benzenes (CHEBI:22712) |
| [(2S,3R)-6-ethylsulfonyl-1-[(4-fluorophenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:126674) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38237 | LINCS |