| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H29N7O4S/c1-15-10-19(14-26-11-15)24-29-30-25(32(24)22-20(35-5)8-7-9-21(22)36-6)31-37(33,34)18(4)17(3)23-27-12-16(2)13-28-23/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1 |
| InChIKey | InChI | 1.06 | DOMQFIFVDIAOOT-ROUUACIJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(OC)c1n2c(N[S](=O)(=O)[C@@H](C)[C@H](C)c3ncc(C)cn3)nnc2c4cncc(C)c4 |
| SMILES | CACTVS | 3.385 | COc1cccc(OC)c1n2c(N[S](=O)(=O)[CH](C)[CH](C)c3ncc(C)cn3)nnc2c4cncc(C)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1)c2nnc(n2c3c(cccc3OC)OC)NS(=O)(=O)[C@@H](C)[C@H](C)c4ncc(cn4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1)c2nnc(n2c3c(cccc3OC)OC)NS(=O)(=O)C(C)C(C)c4ncc(cn4)C |
