EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H28FN3O5S |
| Net Charge | 0 |
| Average Mass | 465.547 |
| Monoisotopic Mass | 465.17337 |
| SMILES | CNC[C@@H]1Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C |
| InChI | InChI=1S/C22H28FN3O5S/c1-14-12-26(15(2)13-27)22(28)18-5-4-6-19(21(18)31-20(14)11-24-3)25-32(29,30)17-9-7-16(23)8-10-17/h4-10,14-15,20,24-25,27H,11-13H2,1-3H3/t14-,15+,20+/m1/s1 |
| InChIKey | RAWZADNKXQBMBA-SIFCLUCFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-fluoro-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide (CHEBI:108764) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20163 | LINCS |