Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N1CCOCC1)CC(C(=O)NC2(CN)CC2)NC(c3ccc(F)cc3)C(F)(F)F |
SMILES_CANONICAL | CACTVS | 3.341 | NCC1(CC1)NC(=O)[C@H](C[S](=O)(=O)N2CCOCC2)N[C@@H](c3ccc(F)cc3)C(F)(F)F |
SMILES | CACTVS | 3.341 | NCC1(CC1)NC(=O)[CH](C[S](=O)(=O)N2CCOCC2)N[CH](c3ccc(F)cc3)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(=O)N2CCOCC2)C(=O)NC3(CC3)CN)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(C(F)(F)F)NC(CS(=O)(=O)N2CCOCC2)C(=O)NC3(CC3)CN)F |
InChI | InChI | 1.03 | InChI=1S/C19H26F4N4O4S/c20-14-3-1-13(2-4-14)16(19(21,22)23)25-15(17(28)26-18(12-24)5-6-18)11-32(29,30)27-7-9-31-10-8-27/h1-4,15-16,25H,5-12,24H2,(H,26,28)/t15-,16-/m0/s1 |
InChIKey | InChI | 1.03 | BJIKKEHGGYGGIX-HOTGVXAUSA-N |