JOL
Summary
| Name: | 2-chloranyl-~{N}-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamide |
| Formula: | C15 H21 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 344.857 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H21ClN2O3S/c1-12-2-4-14(5-3-12)22(20,21)18-8-6-13(7-9-18)11-17-15(19)10-16/h2-5,13H,6-11H2,1H3,(H,17,19) |
| InChIKey | InChI | 1.06 | KVPDKLAGZDLNEK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)CNC(=O)CCl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)CNC(=O)CCl |
