Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c1c(F)c(F)c(c(F)c1F)n2nnc(c2)C(=O)OC)N |
SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)c1cn(nn1)c2c(F)c(F)c(c(F)c2F)[S](N)(=O)=O |
SMILES | CACTVS | 3.370 | COC(=O)c1cn(nn1)c2c(F)c(F)c(c(F)c2F)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COC(=O)c1cn(nn1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F |
SMILES | OpenEye OEToolkits | 1.7.0 | COC(=O)c1cn(nn1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F |
InChI | InChI | 1.03 | InChI=1S/C10H6F4N4O4S/c1-22-10(19)3-2-18(17-16-3)8-4(11)6(13)9(23(15,20)21)7(14)5(8)12/h2H,1H3,(H2,15,20,21) |
InChIKey | InChI | 1.03 | SZIXXXYRUPCZBK-UHFFFAOYSA-N |