| PDB CCD ID: | QT7 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H20 Cl N O3 S |
| InChI: | InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3/t9-/m1/s1 |
| InChIKey: | NMHVAHHYKGXBMY-SECBINFHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)(C)CN([C@@H]1CC[S](=O)(=O)C1)C(=O)CCl | | OpenEye OEToolkits 2.0.7 | CC(C)(C)CN([C@@H]1CCS(=O)(=O)C1)C(=O)CCl | | OpenEye OEToolkits 2.0.7 | CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl | | ACDLabs 12.01 | N(CC(C)(C)C)(C1CCS(C1)(=O)=O)C(CCl)=O | | CACTVS 3.385 | CC(C)(C)CN([CH]1CC[S](=O)(=O)C1)C(=O)CCl |
|
| Name: | 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide |
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