Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1cc(c(cc1Cl)N)S(=O)(=O)N)N |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1cc(Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O |
SMILES | CACTVS | 3.341 | Nc1cc(Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N |
InChI | InChI | 1.03 | InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14) |
InChIKey | InChI | 1.03 | IHJCXVZDYSXXFT-UHFFFAOYSA-N |