Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N |
SMILES_CANONICAL | CACTVS | 3.352 | N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl |
SMILES | CACTVS | 3.352 | N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2 |
InChI | InChI | 1.03 | InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13) |
InChIKey | InChI | 1.03 | JZUFKLXOESDKRF-UHFFFAOYSA-N |