| PDB CCD ID: | 854 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C15 H21 N O4 S |
| InChI: | InChI=1S/C15H21NO4S/c1-2-20-15(17)14-10-6-7-11-16(14)21(18,19)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3/t14-/m0/s1 |
| InChIKey: | LVCFWVYKKRGZFQ-AWEZNQCLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc2ccccc2 | | CACTVS 3.370 | CCOC(=O)[C@@H]1CCCCN1[S](=O)(=O)Cc2ccccc2 | | CACTVS 3.370 | CCOC(=O)[CH]1CCCCN1[S](=O)(=O)Cc2ccccc2 | | OpenEye OEToolkits 1.7.6 | CCOC(=O)C1CCCCN1S(=O)(=O)Cc2ccccc2 | | ACDLabs 12.01 | O=S(=O)(N1C(C(=O)OCC)CCCC1)Cc2ccccc2 |
|
| Name: | ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate |
