Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C16H14Cl2N4O3S/c17-13-2-1-10(5-14(13)18)7-21-9-19-15-12(16(21)23)6-20-22(15)11-3-4-26(24,25)8-11/h1-2,5-6,9,11H,3-4,7-8H2/t11-/m1/s1 |
InChIKey | InChI | 1.03 | PPZWUQVIYVDZNY-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CN2C=Nc3n(ncc3C2=O)[C@@H]4CC[S](=O)(=O)C4)cc1Cl |
SMILES | CACTVS | 3.385 | Clc1ccc(CN2C=Nc3n(ncc3C2=O)[CH]4CC[S](=O)(=O)C4)cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CN2C=Nc3c(cnn3[C@@H]4CCS(=O)(=O)C4)C2=O)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CN2C=Nc3c(cnn3C4CCS(=O)(=O)C4)C2=O)Cl)Cl |