XI1
Summary
| Name: | N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide |
| Formula: | C14 H14 Cl F3 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 382.786 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14ClF3N2O3S/c15-13-7-12(4-1-9(13)8-19)23-11-5-2-10(3-6-11)20-24(21,22)14(16,17)18/h1,4,7,10-11,20H,2-3,5-6H2/t10-,11- |
| InChIKey | InChI | 1.03 | AMFHXCAGSKYZAM-XYPYZODXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)[S](=O)(=O)N[C@H]1CC[C@@H](CC1)Oc2ccc(C#N)c(Cl)c2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)[S](=O)(=O)N[CH]1CC[CH](CC1)Oc2ccc(C#N)c(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1OC2CCC(CC2)NS(=O)(=O)C(F)(F)F)Cl)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1OC2CCC(CC2)NS(=O)(=O)C(F)(F)F)Cl)C#N |
