| PDB CCD ID: | W24 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C9 H18 N2 O3 S |
| InChI: | InChI=1S/C9H18N2O3S/c1-7-8(9(12)10-2)5-4-6-11(7)15(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)/t7-,8-/m0/s1 |
| InChIKey: | CPUIXPUDABQXEN-YUMQZZPRSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CNC(=O)[CH]1CCCN([CH]1C)[S](C)(=O)=O | | ACDLabs 12.01 | N1(CCCC(C1C)C(NC)=O)S(C)(=O)=O | | OpenEye OEToolkits 2.0.7 | CC1C(CCCN1S(=O)(=O)C)C(=O)NC | | OpenEye OEToolkits 2.0.7 | C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)NC | | CACTVS 3.385 | CNC(=O)[C@H]1CCCN([C@H]1C)[S](C)(=O)=O |
|
| Name: | (2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide |
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