3TV
Summary
| Name: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide |
| Formula: | C9 H9 F4 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 303.297 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide |
| OpenEye OEToolkits | 1.9.2 | 2,3,5,6-tetrakis(fluoranyl)-4-propylsulfanyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1c(F)c(F)c(SCCC)c(F)c1F)N |
| InChI | InChI | 1.03 | InChI=1S/C9H9F4NO2S2/c1-2-3-17-8-4(10)6(12)9(18(14,15)16)7(13)5(8)11/h2-3H2,1H3,(H2,14,15,16) |
| InChIKey | InChI | 1.03 | LKPIFWBRFVJTMY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCSc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CCCSc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F |
