Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C(Cl)Cl)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)c1cc2c(N[C@H](N[S]2(=O)=O)C(Cl)Cl)cc1Cl |
SMILES | CACTVS | 3.341 | N[S](=O)(=O)c1cc2c(N[CH](N[S]2(=O)=O)C(Cl)Cl)cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)/t8-/m1/s1 |
InChIKey | InChI | 1.03 | LMJSLTNSBFUCMU-MRVPVSSYSA-N |