WQ0
Summary
| Name: | ~{N}-[[1-(4-bromanyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide |
| Formula: | C14 H17 Br Cl F N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 427.717 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[1-(4-bromanyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H17BrClFN2O3S/c15-12-2-1-11(7-13(12)17)23(21,22)19-5-3-10(4-6-19)9-18-14(20)8-16/h1-2,7,10H,3-6,8-9H2,(H,18,20) |
| InChIKey | InChI | 1.06 | SCQFBPIJVIGIAH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(ccc1Br)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl |
| SMILES | CACTVS | 3.385 | Fc1cc(ccc1Br)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1S(=O)(=O)N2CCC(CC2)CNC(=O)CCl)F)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1S(=O)(=O)N2CCC(CC2)CNC(=O)CCl)F)Br |
