Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1nnc(s1)NS(=O)(=O)c2ccccc2)N |
InChI | InChI | 1.02b | InChI=1/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)/f/h12H,9H2 |
InChIKey | InChI | 1.02b | PWDGTQXZLNDOKS-TVNKGWMHCZ |
SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)c1sc(N[S](=O)(=O)c2ccccc2)nn1 |
SMILES | CACTVS | 3.341 | N[S](=O)(=O)c1sc(N[S](=O)(=O)c2ccccc2)nn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N |