EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20N2O2S |
| Net Charge | 0 |
| Average Mass | 328.437 |
| Monoisotopic Mass | 328.12455 |
| SMILES | CS(=O)(=O)N1C[C@@H]2N[C@H](C1)C2c1ccc(-c2ccccc2)cc1 |
| InChI | InChI=1S/C18H20N2O2S/c1-23(21,22)20-11-16-18(17(12-20)19-16)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-19H,11-12H2,1H3/t16-,17+,18? |
| InChIKey | PJULWIACZWVPPT-JWTNVVGKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1S,5R)-3-methylsulfonyl-7-(4-phenylphenyl)-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125038) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36500 | LINCS |