A1IT0
Summary
| Name: | 1-(methylsulfonylamino)cyclohexane-1-carboxylic acid |
| Formula: | C8 H15 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 221.274 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(methylsulfonylamino)cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H15NO4S/c1-14(12,13)9-8(7(10)11)5-3-2-4-6-8/h9H,2-6H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | RCNDFOGWOOSJJO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)NC1(CCCCC1)C(O)=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)NC1(CCCCC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)NC1(CCCCC1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)NC1(CCCCC1)C(=O)O |
