V1E
Summary
| Name: | ~{N},~{N},4-trimethylbenzenesulfonamide |
| Formula: | C9 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 199.27 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N},~{N},4-trimethylbenzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3 |
| InChIKey | InChI | 1.03 | WZKOKGOAHBIPCI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[S](=O)(=O)c1ccc(C)cc1 |
| SMILES | CACTVS | 3.385 | CN(C)[S](=O)(=O)c1ccc(C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N(C)C |
