P7T
Summary
| Name: | 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde |
| Formula: | C13 H17 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 283.343 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO4S/c1-10-7-14(8-11(2)18-10)19(16,17)13-5-3-12(9-15)4-6-13/h3-6,9-11H,7-8H2,1-2H3/t10-,11+ |
| InChIKey | InChI | 1.03 | GZGHFFPTXVUCPP-PHIMTYICSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN(C[C@@H](C)O1)[S](=O)(=O)c2ccc(C=O)cc2 |
| SMILES | CACTVS | 3.385 | C[CH]1CN(C[CH](C)O1)[S](=O)(=O)c2ccc(C=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)c2ccc(cc2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CC(O1)C)S(=O)(=O)c2ccc(cc2)C=O |
