RAK
Summary
| Name: | 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide |
| Formula: | C9 H10 F4 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 318.312 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H10F4N2O2S2/c1-15-19(16,17)9-6(12)4(10)8(18-3-2-14)5(11)7(9)13/h15H,2-3,14H2,1H3 |
| InChIKey | InChI | 1.03 | ZDIWWYOQIMEWPE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)c1c(F)c(F)c(SCCN)c(F)c1F |
| SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1c(F)c(F)c(SCCN)c(F)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCN)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCN)F)F |
