A1BUR
Summary
| Name: | 2-[2-(methanesulfonyl)-1H-1,3-benzimidazol-1-yl]ethan-1-ol |
| Formula: | C10 H12 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 240.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-[2-(methanesulfonyl)-1H-1,3-benzimidazol-1-yl]ethan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | 2-(2-methylsulfonylbenzimidazol-1-yl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CS(=O)(=O)c1nc2ccccc2n1CCO |
| InChI | InChI | 1.06 | InChI=1S/C10H12N2O3S/c1-16(14,15)10-11-8-4-2-3-5-9(8)12(10)6-7-13/h2-5,13H,6-7H2,1H3 |
| InChIKey | InChI | 1.06 | QRLLHFOSHXFKSX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1nc2ccccc2n1CCO |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1nc2ccccc2n1CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CS(=O)(=O)c1nc2ccccc2n1CCO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CS(=O)(=O)c1nc2ccccc2n1CCO |
