Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H14BrF2N7O3S/c1-34-21-14-7-11(9-25-20(14)27-28-21)17-10-31(30-26-17)19-15(23)5-6-16(18(19)24)29-35(32,33)13-4-2-3-12(22)8-13/h2-10,29H,1H3,(H,25,27,28) |
InChIKey | InChI | 1.03 | XBRQXNKVCFFZSD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1n[nH]c2ncc(cc12)c3cn(nn3)c4c(F)ccc(N[S](=O)(=O)c5cccc(Br)c5)c4F |
SMILES | CACTVS | 3.385 | COc1n[nH]c2ncc(cc12)c3cn(nn3)c4c(F)ccc(N[S](=O)(=O)c5cccc(Br)c5)c4F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc(c5)Br)F |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc(c5)Br)F |