| PDB CCD ID: | N8F |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C12 H13 N O4 S |
| InChI: | InChI=1S/C12H13NO4S/c14-11-7-6-9(12(15)13-11)8-18(16,17)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14,15)/t9-/m1/s1 |
| InChIKey: | JPOLQZHTTNLNIA-SECBINFHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)S(=O)(=O)C[C@H]2CCC(=O)NC2=O | | CACTVS 3.385 | O=C1CC[C@H](C[S](=O)(=O)c2ccccc2)C(=O)N1 | | CACTVS 3.385 | O=C1CC[CH](C[S](=O)(=O)c2ccccc2)C(=O)N1 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)S(=O)(=O)CC2CCC(=O)NC2=O |
|
| Name: | (3~{S})-3-(phenylsulfonylmethyl)piperidine-2,6-dione |
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