| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H28N4O5S/c1-17-10-11-18(12-20(17)16-29(2)36(33,34)21-8-6-5-7-9-21)22(15-25(31)32)19-13-23-26(24(14-19)35-4)30(3)28-27-23/h5-14,22H,15-16H2,1-4H3,(H,31,32)/t22-/m0/s1 |
| InChIKey | InChI | 1.03 | VVWDXVKKAYFKNL-QFIPXVFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c3ccc(C)c(CN(C)[S](=O)(=O)c4ccccc4)c3 |
| SMILES | CACTVS | 3.385 | COc1cc(cc2nnn(C)c12)[CH](CC(O)=O)c3ccc(C)c(CN(C)[S](=O)(=O)c4ccccc4)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1CN(C)S(=O)(=O)c2ccccc2)[C@H](CC(=O)O)c3cc4c(c(c3)OC)n(nn4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1CN(C)S(=O)(=O)c2ccccc2)C(CC(=O)O)c3cc4c(c(c3)OC)n(nn4)C |
