EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H21F3N2O3S |
| Net Charge | 0 |
| Average Mass | 378.416 |
| Monoisotopic Mass | 378.12250 |
| SMILES | CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F |
| InChI | InChI=1S/C16H21F3N2O3S/c1-25(23,24)20-10-15(11-20)14(12-5-3-2-4-6-12)13(9-22)21(15)8-7-16(17,18)19/h2-6,13-14,22H,7-11H2,1H3/t13-,14-/m1/s1 |
| InChIKey | BCAZVDUHBXMCES-ZIAGYGMSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2S,3R)-6-methylsulfonyl-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:128079) is a azetidines (CHEBI:38777) |
| [(2S,3R)-6-methylsulfonyl-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:128079) is a benzenes (CHEBI:22712) |
| [(2S,3R)-6-methylsulfonyl-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:128079) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39635 | LINCS |