WAE
Summary
| Name: | N-(2,6-dimethylphenyl)methanesulfonamide |
| Formula: | C9 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 199.27 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2,6-dimethylphenyl)methanesulfonamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2,6-dimethylphenyl)methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(C)(=O)Nc1c(C)cccc1C |
| InChI | InChI | 1.06 | InChI=1S/C9H13NO2S/c1-7-5-4-6-8(2)9(7)10-13(3,11)12/h4-6,10H,1-3H3 |
| InChIKey | InChI | 1.06 | CLMPXVSJALKBTQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(C)c1N[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | Cc1cccc(C)c1N[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1NS(=O)(=O)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1NS(=O)(=O)C)C |
