Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c1c(F)c(F)c(c(F)c1F)n2nnc(c2)C3CCCCC3)N |
SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1c(F)c(F)c(n2cc(nn2)C3CCCCC3)c(F)c1F |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1c(F)c(F)c(n2cc(nn2)C3CCCCC3)c(F)c1F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C3CCCCC3 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C3CCCCC3 |
InChI | InChI | 1.03 | InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24) |
InChIKey | InChI | 1.03 | RAGBVAFIIJNDRZ-UHFFFAOYSA-N |