GG8
Summary
| Name: | ~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide |
| Formula: | C9 H10 F3 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 253.241 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H10F3NO2S/c10-9(11,12)6-7-13-16(14,15)8-4-2-1-3-5-8/h1-5,13H,6-7H2 |
| InChIKey | InChI | 1.03 | PCTNYPUVXBXHOS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CCN[S](=O)(=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)CCN[S](=O)(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F |
