Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC3C(O)CN(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)c4sc(Cl)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1CN(C[C@@H]1NC(=O)c2sc(Cl)cc2)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O |
SMILES | CACTVS | 3.341 | O[CH]1CN(C[CH]1NC(=O)c2sc(Cl)cc2)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)O)NC(=O)c4ccc(s4)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)CN3CC(C(C3)O)NC(=O)c4ccc(s4)Cl |
InChI | InChI | 1.03 | InChI=1S/C22H20ClFN4O4S/c23-19-7-6-18(33-19)22(32)26-16-10-27(11-17(16)29)12-20(30)25-15-5-4-13(9-14(15)24)28-8-2-1-3-21(28)31/h1-9,16-17,29H,10-12H2,(H,25,30)(H,26,32)/t16-,17-/m0/s1 |
InChIKey | InChI | 1.03 | ARAVOODWJJJNBY-IRXDYDNUSA-N |