| PDB CCD ID: | RLS |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H22 N2 O3 S |
| InChI: | InChI=1S/C16H22N2O3S/c1-17-12-14(11-16(17)19)13-5-7-15(8-6-13)22(20,21)18-9-3-2-4-10-18/h5-8,14H,2-4,9-12H2,1H3/t14-/m0/s1 |
| InChIKey: | FJZVEOQSYSYUQK-AWEZNQCLSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1C[C@H](CC1=O)c2ccc(cc2)[S](=O)(=O)N3CCCCC3 | | OpenEye OEToolkits 2.0.7 | CN1C[C@H](CC1=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3 | | ACDLabs 12.01 | CN1C(CC(C1)c2ccc(cc2)S(N3CCCCC3)(=O)=O)=O | | CACTVS 3.385 | CN1C[CH](CC1=O)c2ccc(cc2)[S](=O)(=O)N3CCCCC3 | | OpenEye OEToolkits 2.0.7 | CN1CC(CC1=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3 |
|
| Name: | (4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one |
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