Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CS(c2nc(cn2C1CCCC1)NS(c3cc(cc(c3O)Cl)Br)(=O)=O)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C15H17BrClN3O5S2/c1-26(22,23)15-18-13(8-20(15)10-4-2-3-5-10)19-27(24,25)12-7-9(16)6-11(17)14(12)21/h6-8,10,19,21H,2-5H2,1H3 |
InChIKey | InChI | 1.03 | ZBIVDOJYQHNICX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3 |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br |