Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4(ccc(CNC(c3cnc(OC)c1c3cnn1c2ccc(cc2)F)=O)cc4)S(NC)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C22H20FN5O4S/c1-24-33(30,31)17-9-3-14(4-10-17)11-25-21(29)19-12-26-22(32-2)20-18(19)13-27-28(20)16-7-5-15(23)6-8-16/h3-10,12-13,24H,11H2,1-2H3,(H,25,29) |
InChIKey | InChI | 1.03 | XCGQNCJLJMSYMR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)c1ccc(CNC(=O)c2cnc(OC)c3n(ncc23)c4ccc(F)cc4)cc1 |
SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1ccc(CNC(=O)c2cnc(OC)c3n(ncc23)c4ccc(F)cc4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNS(=O)(=O)c1ccc(cc1)CNC(=O)c2cnc(c3c2cnn3c4ccc(cc4)F)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CNS(=O)(=O)c1ccc(cc1)CNC(=O)c2cnc(c3c2cnn3c4ccc(cc4)F)OC |