EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C17H15FN2O3S |
| Net Charge | 0 |
| Average Mass | 346.383 |
| Monoisotopic Mass | 346.07874 |
| SMILES | N#C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)c1ccc(F)cc1 |
| InChI | InChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(22,23)20-15(10-19)17(16(20)11-21)12-4-2-1-3-5-12/h1-9,15-17,21H,11H2/t15-,16-,17+/m0/s1 |
| InChIKey | LIAUQGYQVCFFMZ-YESZJQIVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,4R)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:102563) is a azetidines (CHEBI:38777) |
| (2R,3R,4R)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:102563) is a benzenes (CHEBI:22712) |
| (2R,3R,4R)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:102563) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13910 | LINCS |