| PDB CCD ID: | P7T |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H17 N O4 S |
| InChI: | 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: | GZGHFFPTXVUCPP-PHIMTYICSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH]1CN(C[CH](C)O1)[S](=O)(=O)c2ccc(C=O)cc2 | | OpenEye OEToolkits 2.0.7 | C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)c2ccc(cc2)C=O | | OpenEye OEToolkits 2.0.7 | CC1CN(CC(O1)C)S(=O)(=O)c2ccc(cc2)C=O | | CACTVS 3.385 | C[C@H]1CN(C[C@@H](C)O1)[S](=O)(=O)c2ccc(C=O)cc2 |
|
| Name: | 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde |
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