Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C16H23F3N2O4S2/c1-2-26(22,23)16-12(18)11(17)15(27(20,24)25)13(19)14(16)21-10-8-6-4-3-5-7-9-10/h10,21H,2-9H2,1H3,(H2,20,24,25) |
InChIKey | InChI | 1.06 | JATZJQNOFRECGS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)c1c(F)c(F)c(c(F)c1NC2CCCCCCC2)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | CC[S](=O)(=O)c1c(F)c(F)c(c(F)c1NC2CCCCCCC2)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)NC2CCCCCCC2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)NC2CCCCCCC2 |