FXU
Summary
| Name: | (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide |
| Formula: | C12 H15 F3 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 340.319 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-4-methylsulfonyl-~{N}-[3-(trifluoromethyloxy)phenyl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H15F3N2O4S/c1-22(19,20)6-5-10(16)11(18)17-8-3-2-4-9(7-8)21-12(13,14)15/h2-4,7,10H,5-6,16H2,1H3,(H,17,18)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | SJCAGVRRCBPLMJ-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)CC[C@@H](N)C(=O)Nc1cccc(OC(F)(F)F)c1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)CC[CH](N)C(=O)Nc1cccc(OC(F)(F)F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)CC[C@H](C(=O)Nc1cccc(c1)OC(F)(F)F)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)CCC(C(=O)Nc1cccc(c1)OC(F)(F)F)N |
