A1I6H
Summary
| Name: | 3-[[3-(trifluoromethyl)phenyl]methyl]-2~{H}-1$l^{6},2,4-benzothiadiazine 1,1-dioxide |
| Formula: | C15 H11 F3 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 340.32 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[3-(trifluoromethyl)phenyl]methyl]-2~{H}-1$l^{6},2,4-benzothiadiazine 1,1-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H11F3N2O2S/c16-15(17,18)11-5-3-4-10(8-11)9-14-19-12-6-1-2-7-13(12)23(21,22)20-14/h1-8H,9H2,(H,19,20) |
| InChIKey | InChI | 1.06 | IXHISIYNGIIOEL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cccc(CC2=Nc3ccccc3[S](=O)(=O)N2)c1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cccc(CC2=Nc3ccccc3[S](=O)(=O)N2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N=C(NS2(=O)=O)Cc3cccc(c3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N=C(NS2(=O)=O)Cc3cccc(c3)C(F)(F)F |
