Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c1c(F)c(F)c(c(F)c1F)n2nnc(c2)CC3CCCCC3)N |
InChI | InChI | 1.03 | InChI=1S/C15H16F4N4O2S/c16-10-12(18)15(26(20,24)25)13(19)11(17)14(10)23-7-9(21-22-23)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,20,24,25) |
InChIKey | InChI | 1.03 | AKKBBWYMCAYCPJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1c(F)c(F)c(n2cc(CC3CCCCC3)nn2)c(F)c1F |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1c(F)c(F)c(n2cc(CC3CCCCC3)nn2)c(F)c1F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)CC3CCCCC3 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)CC3CCCCC3 |