UVA
Summary
| Name: | N-methyl-2-(methylsulfonyl)aniline |
| Formula: | C8 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 185.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-2-(methylsulfonyl)aniline |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-2-methylsulfonyl-aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(S(C)(=O)=O)c(NC)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h3-6,9H,1-2H3 |
| InChIKey | InChI | 1.03 | YLDKGNWSSXYUAH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ccccc1[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CNc1ccccc1[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1ccccc1S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1ccccc1S(=O)(=O)C |
