Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N(c1ncc(cc1)Nc2ncc3c(n2)n(nc3)C4CCCCCC4)CCN)C |
SMILES_CANONICAL | CACTVS | 3.370 | C[S](=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1 |
SMILES | CACTVS | 3.370 | C[S](=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CS(=O)(=O)N(CCN)c1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4 |
SMILES | OpenEye OEToolkits | 1.7.0 | CS(=O)(=O)N(CCN)c1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4 |
InChI | InChI | 1.03 | InChI=1S/C20H28N8O2S/c1-31(29,30)27(11-10-21)18-9-8-16(14-22-18)25-20-23-12-15-13-24-28(19(15)26-20)17-6-4-2-3-5-7-17/h8-9,12-14,17H,2-7,10-11,21H2,1H3,(H,23,25,26) |
InChIKey | InChI | 1.03 | SZKRTTIHILIRKD-UHFFFAOYSA-N |