Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1nc(cnc1N)c2ccc(Cl)c(c2)S(=O)(=O)Nc3cccc(F)c3F)NC |
InChI | InChI | 1.03 | InChI=1S/C18H14ClF2N5O3S/c1-23-18(27)16-17(22)24-8-13(25-16)9-5-6-10(19)14(7-9)30(28,29)26-12-4-2-3-11(20)15(12)21/h2-8,26H,1H3,(H2,22,24)(H,23,27) |
InChIKey | InChI | 1.03 | GEYLKEHPEKRUTC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1nc(cnc1N)c2ccc(Cl)c(c2)[S](=O)(=O)Nc3cccc(F)c3F |
SMILES | CACTVS | 3.385 | CNC(=O)c1nc(cnc1N)c2ccc(Cl)c(c2)[S](=O)(=O)Nc3cccc(F)c3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1c(ncc(n1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N |
SMILES | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1c(ncc(n1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N |