Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CC(CCC1SCC3=Nc2cc(cc(c2C(N3)=O)F)OCC4CC4)O |
InChI | InChI | 1.03 | InChI=1S/C19H23FN2O3S/c20-15-7-13(25-9-11-1-2-11)8-16-18(15)19(24)22-17(21-16)10-26-14-5-3-12(23)4-6-14/h7-8,11-12,14,23H,1-6,9-10H2,(H,21,22,24)/t12-,14- |
InChIKey | InChI | 1.03 | NKZDEFKPZSLQRF-MQMHXKEQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CC[C@H](CC1)SCC2=Nc3cc(OCC4CC4)cc(F)c3C(=O)N2 |
SMILES | CACTVS | 3.385 | O[CH]1CC[CH](CC1)SCC2=Nc3cc(OCC4CC4)cc(F)c3C(=O)N2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)OCC4CC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)OCC4CC4 |