Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3 |
InChIKey | InChI | 1.03 | KJPHTXTWFHVJIG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(Cc1cccnc1)C(=O)CN(c2ccc(OC)nc2)[S](=O)(=O)c3ccccc3C |
SMILES | CACTVS | 3.385 | CCN(Cc1cccnc1)C(=O)CN(c2ccc(OC)nc2)[S](=O)(=O)c3ccccc3C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C |