A1EWG
Summary
| Name: | 8-fluoranyl-6-[(2-fluoranyl-4-methyl-phenyl)methyl]-1,2$l^{6},3-benzoxathiazine 2,2-dioxide |
| Formula: | C15 H11 F2 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 323.315 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-fluoranyl-6-[(2-fluoranyl-4-methyl-phenyl)methyl]-1,2$l^{6},3-benzoxathiazine 2,2-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H11F2NO3S/c1-9-2-3-11(13(16)4-9)5-10-6-12-8-18-22(19,20)21-15(12)14(17)7-10/h2-4,6-8H,5H2,1H3 |
| InChIKey | InChI | 1.06 | DGTKOQFNOYKJRP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Cc2cc(F)c3O[S](=O)(=O)N=Cc3c2)c(F)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(Cc2cc(F)c3O[S](=O)(=O)N=Cc3c2)c(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)F)Cc2cc3c(c(c2)F)OS(=O)(=O)N=C3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)F)Cc2cc3c(c(c2)F)OS(=O)(=O)N=C3 |
