A36
Summary
| Name: | N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide |
| Formula: | C13 H21 F N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 288.381 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide |
| OpenEye OEToolkits | 1.7.6 | N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)CS(=O)(=O)NCCN(CC)CC |
| InChI | InChI | 1.03 | InChI=1S/C13H21FN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3 |
| InChIKey | InChI | 1.03 | UKOZIEJMLUYTMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCN(CC)CCN[S](=O)(=O)Cc1ccc(F)cc1 |
| SMILES | CACTVS | 3.370 | CCN(CC)CCN[S](=O)(=O)Cc1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F |
