Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(ccc(Cl)c(NC(=O)c1cccc2c1ncnc2N)c3F)NS(=O)(=O)N4CCCC4 |
InChI | InChI | 1.03 | InChI=1S/C19H18ClFN6O3S/c20-13-6-7-14(26-31(29,30)27-8-1-2-9-27)15(21)17(13)25-19(28)12-5-3-4-11-16(12)23-10-24-18(11)22/h3-7,10,26H,1-2,8-9H2,(H,25,28)(H2,22,23,24) |
InChIKey | InChI | 1.03 | SKKINZODGXHKJJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2c1cccc2C(=O)Nc3c(Cl)ccc(N[S](=O)(=O)N4CCCC4)c3F |
SMILES | CACTVS | 3.385 | Nc1ncnc2c1cccc2C(=O)Nc3c(Cl)ccc(N[S](=O)(=O)N4CCCC4)c3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)C(=O)Nc3c(ccc(c3F)NS(=O)(=O)N4CCCC4)Cl)ncnc2N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)C(=O)Nc3c(ccc(c3F)NS(=O)(=O)N4CCCC4)Cl)ncnc2N |