Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1nnc(s1)NS(=O)(=O)c2cc(F)c(N)c(Cl)c2)N |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1c(F)cc(cc1Cl)[S](=O)(=O)Nc2sc(nn2)[S](N)(=O)=O |
SMILES | CACTVS | 3.341 | Nc1c(F)cc(cc1Cl)[S](=O)(=O)Nc2sc(nn2)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1F)N)Cl)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1F)N)Cl)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17) |
InChIKey | InChI | 1.03 | HOLJYLOVIHBQHO-UHFFFAOYSA-N |