Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCC#N)ncc1Br |
InChI | InChI | 1.03 | InChI=1S/C19H15BrFN7O3S/c20-13-10-24-19(26-11-4-6-12(7-5-11)32(30,31)25-9-8-22)28-18(13)27-15-3-1-2-14(21)16(15)17(23)29/h1-7,10,25H,9H2,(H2,23,29)(H2,24,26,27,28) |
InChIKey | InChI | 1.03 | JFPLXLDERUBJPU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1c(F)cccc1Nc2nc(Nc3ccc(cc3)[S](=O)(=O)NCC#N)ncc2Br |
SMILES | CACTVS | 3.385 | NC(=O)c1c(F)cccc1Nc2nc(Nc3ccc(cc3)[S](=O)(=O)NCC#N)ncc2Br |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)F)C(=O)N)Nc2c(cnc(n2)Nc3ccc(cc3)S(=O)(=O)NCC#N)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)F)C(=O)N)Nc2c(cnc(n2)Nc3ccc(cc3)S(=O)(=O)NCC#N)Br |