F9F
Summary
| Name: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE |
| Synonyms: | N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE, F9 |
| Formula: | C9 H11 F3 N O7 P S |
| Formal charge: | 0 |
| Formula weight: | 365.22 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCOP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)OCCN[S](=O)(=O)c1ccc(OC(F)(F)F)cc1 |
| SMILES | CACTVS | 3.341 | O[P](O)(=O)OCCN[S](=O)(=O)c1ccc(OC(F)(F)F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H11F3NO7PS/c10-9(11,12)20-7-1-3-8(4-2-7)22(17,18)13-5-6-19-21(14,15)16/h1-4,13H,5-6H2,(H2,14,15,16) |
| InChIKey | InChI | 1.03 | JDDKDMFCTOZVCJ-UHFFFAOYSA-N |
