B3Z
Summary
| Name: | N-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide |
| Formula: | C12 H19 F N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 274.355 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide |
| OpenEye OEToolkits | 1.9.2 | N-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccccc1S(=O)(=O)NCCN(CC)CC |
| InChI | InChI | 1.03 | InChI=1S/C12H19FN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3 |
| InChIKey | InChI | 1.03 | DWACGKNOPVYPHQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCN[S](=O)(=O)c1ccccc1F |
| SMILES | CACTVS | 3.385 | CCN(CC)CCN[S](=O)(=O)c1ccccc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCN(CC)CCNS(=O)(=O)c1ccccc1F |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCN(CC)CCNS(=O)(=O)c1ccccc1F |
