EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H21FN2O2S |
| Net Charge | 0 |
| Average Mass | 372.465 |
| Monoisotopic Mass | 372.13078 |
| SMILES | CC=Cc1ccc(C2[C@@H]3CN(S(=O)(=O)c4ccccc4F)C[C@H]2N3)cc1 |
| InChI | InChI=1S/C20H21FN2O2S/c1-2-5-14-8-10-15(11-9-14)20-17-12-23(13-18(20)22-17)26(24,25)19-7-4-3-6-16(19)21/h2-11,17-18,20,22H,12-13H2,1H3/t17-,18+,20? |
| InChIKey | USVXCIRVBCJGRA-UFRUDQCGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36598 (CHEBI:125136) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36598 | LINCS |