| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3(c1ccccc1)c(C(Nc2ccc(C(OCC)=O)cc2)=O)c4c(n3)CCN(C4)S(=O)(=O)c5cccs5 |
| InChI | InChI | 1.03 | InChI=1S/C26H24N4O5S2/c1-2-35-26(32)18-10-12-19(13-11-18)27-25(31)24-21-17-29(37(33,34)23-9-6-16-36-23)15-14-22(21)28-30(24)20-7-4-3-5-8-20/h3-13,16H,2,14-15,17H2,1H3,(H,27,31) |
| InChIKey | InChI | 1.03 | XNXCVMCHZZGPLW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1ccc(NC(=O)c2n(nc3CCN(Cc23)[S](=O)(=O)c4sccc4)c5ccccc5)cc1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1ccc(NC(=O)c2n(nc3CCN(Cc23)[S](=O)(=O)c4sccc4)c5ccccc5)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1ccc(cc1)NC(=O)c2c3c(nn2c4ccccc4)CCN(C3)S(=O)(=O)c5cccs5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1ccc(cc1)NC(=O)c2c3c(nn2c4ccccc4)CCN(C3)S(=O)(=O)c5cccs5 |
