3TJ
Summary
| Name: | 4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide |
| Formula: | C9 H11 F N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 230.259 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide |
| OpenEye OEToolkits | 1.7.2 | 4-ethyl-7-fluoranyl-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc2c(c1)S(=O)(=O)NCN2CC |
| InChI | InChI | 1.03 | InChI=1S/C9H11FN2O2S/c1-2-12-6-11-15(13,14)9-5-7(10)3-4-8(9)12/h3-5,11H,2,6H2,1H3 |
| InChIKey | InChI | 1.03 | MALNTEMXARBOND-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCN1CN[S](=O)(=O)c2cc(F)ccc12 |
| SMILES | CACTVS | 3.370 | CCN1CN[S](=O)(=O)c2cc(F)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCN1CNS(=O)(=O)c2c1ccc(c2)F |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCN1CNS(=O)(=O)c2c1ccc(c2)F |
