EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H24N2O3S |
| Net Charge | 0 |
| Average Mass | 336.457 |
| Monoisotopic Mass | 336.15076 |
| SMILES | CCS(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 |
| InChI | InChI=1S/C17H24N2O3S/c1-2-23(21,22)19-11-8-15(9-12-19)17(20)18-10-7-14-5-3-4-6-16(14)13-18/h3-6,15H,2,7-13H2,1H3 |
| InChIKey | LUECMNNNXOJWOU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone (CHEBI:113079) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24489 | LINCS |