Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(c1cc(I)ccc1)(NNS(c2c(cccc2)F)(=O)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C13H10FIN2O3S/c14-11-6-1-2-7-12(11)21(19,20)17-16-13(18)9-4-3-5-10(15)8-9/h1-8,17H,(H,16,18) |
InChIKey | InChI | 1.03 | WRILZXKUOHKYFI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1[S](=O)(=O)NNC(=O)c2cccc(I)c2 |
SMILES | CACTVS | 3.385 | Fc1ccccc1[S](=O)(=O)NNC(=O)c2cccc(I)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I |