EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H30Cl2N2O6S2 |
| Net Charge | 0 |
| Average Mass | 553.530 |
| Monoisotopic Mass | 552.09223 |
| SMILES | CO[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1cccc(Cl)c1 |
| InChI | InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-19(24)12-21)22(32-4)14-25(3)33(28,29)20-10-8-18(23)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22-/m0/s1 |
| InChIKey | JTCZGLOUSBJUER-HOIFWPIMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-chloro-N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide (CHEBI:97554) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-8933 | LINCS |