Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N1CCN(C)CC1)c4cc(C2=Nc3c(C(=O)N2)n(nc3CCC)C)c(OCC)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(C)CC4 |
SMILES | CACTVS | 3.341 | CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(C)CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C |
InChI | InChI | 1.03 | InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) |
InChIKey | InChI | 1.03 | BNRNXUUZRGQAQC-UHFFFAOYSA-N |