| PDB CCD ID: | A1BFF |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C9 H18 N2 O3 S |
| InChI: | InChI=1S/C9H18N2O3S/c1-8(12)11-5-3-4-9(7-11)6-10-15(2,13)14/h9-10H,3-7H2,1-2H3 |
| InChIKey: | CCRQXLDMMWNHIR-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 3.1.0.0 | CC(=O)N1CCCC(C1)CNS(=O)(=O)C | | OpenEye OEToolkits 3.1.0.0 | CC(=O)N1CCC[C@@H](C1)CNS(=O)(=O)C | | CACTVS 3.385 | CC(=O)N1CCC[CH](CN[S](C)(=O)=O)C1 | | CACTVS 3.385 | CC(=O)N1CCC[C@H](CN[S](C)(=O)=O)C1 | | ACDLabs 14.52 | O=C(C)N1CCCC(CNS(C)(=O)=O)C1 |
|
| Name: | N-{[(3S)-1-acetylpiperidin-3-yl]methyl}methanesulfonamide |
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