WPN
Summary
| Name: | ~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide |
| Formula: | C14 H18 Br Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 409.726 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H18BrClN2O3S/c15-12-1-3-13(4-2-12)22(20,21)18-7-5-11(6-8-18)10-17-14(19)9-16/h1-4,11H,5-10H2,(H,17,19) |
| InChIKey | InChI | 1.06 | QWMBYQMPRPJMCY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)NCC1CCN(CC1)[S](=O)(=O)c2ccc(Br)cc2 |
| SMILES | CACTVS | 3.385 | ClCC(=O)NCC1CCN(CC1)[S](=O)(=O)c2ccc(Br)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)N2CCC(CC2)CNC(=O)CCl)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)N2CCC(CC2)CNC(=O)CCl)Br |
