EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H24N2O4S |
| Net Charge | 0 |
| Average Mass | 412.511 |
| Monoisotopic Mass | 412.14568 |
| SMILES | O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)c1ccccc1 |
| InChI | InChI=1S/C22H24N2O4S/c25-13-19-20(16-7-3-1-4-8-16)22(14-23(15-22)21(26)17-11-12-17)24(19)29(27,28)18-9-5-2-6-10-18/h1-10,17,19-20,25H,11-15H2/t19-,20-/m1/s1 |
| InChIKey | OGQPWMUFYHQCAG-WOJBJXKFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2S,3R)-1-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone (CHEBI:125853) is a azetidines (CHEBI:38777) |
| [(2S,3R)-1-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone (CHEBI:125853) is a benzenes (CHEBI:22712) |
| [(2S,3R)-1-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone (CHEBI:125853) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37420 | LINCS |