Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3C |
InChI | InChI | 1.03 | InChI=1S/C15H17BrClN3O3S/c1-9-18-14(8-20(9)11-4-2-3-5-11)19-24(22,23)13-7-10(16)6-12(17)15(13)21/h6-8,11,19,21H,2-5H2,1H3 |
InChIKey | InChI | 1.03 | WOKCPJTYIUMFPY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3 |
SMILES | CACTVS | 3.385 | Cc1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br |