EN9
Summary
| Name: | (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide |
| Formula: | C20 H17 Cl F4 N4 O4 S |
| Formal charge: | 0 |
| Formula weight: | 520.885 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | XEAOPVUAMONVLA-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)c2nocn2)[S](=O)(=O)c3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH](CCC(F)(F)F)N(Cc1ccc(cc1F)c2nocn2)[S](=O)(=O)c3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2F)c3ncon3)[C@H](CCC(F)(F)F)C(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2F)c3ncon3)C(CCC(F)(F)F)C(=O)N)Cl |
