W5T
Summary
| Name: | ~{N}-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide |
| Formula: | C14 H19 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 330.83 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H19ClN2O3S/c1-11(18)16-10-12-6-8-17(9-7-12)21(19,20)14-4-2-13(15)3-5-14/h2-5,12H,6-10H2,1H3,(H,16,18) |
| InChIKey | InChI | 1.06 | TUFYUMNYEVIILH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCC1CCN(CC1)[S](=O)(=O)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | CC(=O)NCC1CCN(CC1)[S](=O)(=O)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCC1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCC1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl |
