Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N(C)C)c1ccc(cc1)Nc2cc(nc3c(cnn23)C(C)C)NC4CCC(N)CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)c1cnn2c(Nc3ccc(cc3)[S](=O)(=O)N(C)C)cc(N[C@H]4CC[C@H](N)CC4)nc12 |
SMILES | CACTVS | 3.341 | CC(C)c1cnn2c(Nc3ccc(cc3)[S](=O)(=O)N(C)C)cc(N[CH]4CC[CH](N)CC4)nc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)c1cnn2c1nc(cc2Nc3ccc(cc3)S(=O)(=O)N(C)C)NC4CCC(CC4)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)c1cnn2c1nc(cc2Nc3ccc(cc3)S(=O)(=O)N(C)C)NC4CCC(CC4)N |
InChI | InChI | 1.03 | InChI=1S/C23H33N7O2S/c1-15(2)20-14-25-30-22(27-18-9-11-19(12-10-18)33(31,32)29(3)4)13-21(28-23(20)30)26-17-7-5-16(24)6-8-17/h9-17,27H,5-8,24H2,1-4H3,(H,26,28)/t16-,17- |
InChIKey | InChI | 1.03 | MDIWBYRNTPTYQI-QAQDUYKDSA-N |