F1A
Summary
| Name: | 2,4,6-trimethylbenzenesulfonamide |
| 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 | 2,4,6-trimethylbenzenesulfonamide |
| OpenEye OEToolkits | 1.9.2 | 2,4,6-trimethylbenzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1c(cc(cc1C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12) |
| InChIKey | InChI | 1.03 | YECJUZIGFPJWGQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)c(c(C)c1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | Cc1cc(C)c(c(C)c1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(c(c(c1)C)S(=O)(=O)N)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(c(c(c1)C)S(=O)(=O)N)C |
