RYJ
Summary
| Name: | 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide |
| Formula: | C9 H9 F3 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 282.24 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide |
| OpenEye OEToolkits | 1.7.2 | 4-sulfamoyl-N-[2,2,2-tris(fluoranyl)ethyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)F)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)F |
| SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H9F3N2O3S/c10-9(11,12)5-14-8(15)6-1-3-7(4-2-6)18(13,16)17/h1-4H,5H2,(H,14,15)(H2,13,16,17) |
| InChIKey | InChI | 1.03 | QTBXXSHAPCGITL-UHFFFAOYSA-N |
