A1BA3
Summary
| Name: | N-(2-anilinoethyl)methanesulfonamide |
| Formula: | C9 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 214.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(2-anilinoethyl)methanesulfonamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-phenylazanylethyl)methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CS(=O)(=O)NCCNc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H14N2O2S/c1-14(12,13)11-8-7-10-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3 |
| InChIKey | InChI | 1.06 | JSUIXVZTHSSHPJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)NCCNc1ccccc1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)NCCNc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)NCCNc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)NCCNc1ccccc1 |
