A1JEO
Summary
| Name: | (6~{R})-6-(4-methylsulfonylphenoxy)-1,4-oxazepane |
| Formula: | C12 H17 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 271.333 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (6~{R})-6-(4-methylsulfonylphenoxy)-1,4-oxazepane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H17NO4S/c1-18(14,15)12-4-2-10(3-5-12)17-11-8-13-6-7-16-9-11/h2-5,11,13H,6-9H2,1H3 |
| InChIKey | InChI | 1.06 | SZSFGBSJCMXRFJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(O[C@@H]2CNCCOC2)cc1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(O[CH]2CNCCOC2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(cc1)O[C@@H]2CNCCOC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(cc1)OC2CNCCOC2 |
