WHP
Summary
| Name: | N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide |
| Formula: | C9 H12 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 233.715 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R})-1-(2-chlorophenyl)ethyl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc(Cl)c1C(NS(=O)(C)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C9H12ClNO2S/c1-7(11-14(2,12)13)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | HMJIOKFBRSKMHO-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N[S](C)(=O)=O)c1ccccc1Cl |
| SMILES | CACTVS | 3.385 | C[CH](N[S](C)(=O)=O)c1ccccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccccc1Cl)NS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1Cl)NS(=O)(=O)C |
