N2K
Summary
| Name: | ~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide |
| Formula: | C14 H21 F3 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 338.389 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H21F3N2O2S/c1-3-19(4-2)10-9-18-22(20,21)11-12-5-7-13(8-6-12)14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3 |
| InChIKey | InChI | 1.03 | UJMFKSSVUDLNIV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCN[S](=O)(=O)Cc1ccc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCN(CC)CCN[S](=O)(=O)Cc1ccc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F |
