Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC3C(OC)CN(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)c4sc(Cl)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | CO[C@H]1CN(C[C@@H]1NC(=O)c2sc(Cl)cc2)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O |
SMILES | CACTVS | 3.341 | CO[CH]1CN(C[CH]1NC(=O)c2sc(Cl)cc2)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CO[C@H]1C[N@](C[C@@H]1NC(=O)c2ccc(s2)Cl)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O |
SMILES | OpenEye OEToolkits | 1.5.0 | COC1CN(CC1NC(=O)c2ccc(s2)Cl)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O |
InChI | InChI | 1.03 | InChI=1S/C23H22ClFN4O4S/c1-33-18-12-28(11-17(18)27-23(32)19-7-8-20(24)34-19)13-21(30)26-16-6-5-14(10-15(16)25)29-9-3-2-4-22(29)31/h2-10,17-18H,11-13H2,1H3,(H,26,30)(H,27,32)/t17-,18-/m0/s1 |
InChIKey | InChI | 1.03 | BOCLXHFYRGMFSC-ROUUACIJSA-N |