PDB CCD ID: | KI1 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C15 H17 Cl F3 N O2 S |
InChI: | InChI=1S/C15H17ClF3NO2S/c16-12-2-1-10(9-11(12)15(17,18)19)14(22)4-6-20(7-5-14)13(21)3-8-23/h1-2,9,22-23H,3-8H2 |
InChIKey: | STKPEUISNQZVRV-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.6 | c1cc(c(cc1C2(CCN(CC2)C(=O)CCS)O)C(F)(F)F)Cl | CACTVS 3.370 | OC1(CCN(CC1)C(=O)CCS)c2ccc(Cl)c(c2)C(F)(F)F | ACDLabs 12.01 | O=C(N2CCC(O)(c1ccc(Cl)c(c1)C(F)(F)F)CC2)CCS |
|
Name: | 1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one |
ZINC: | ZINC000098209075 |