| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c2(cccc(NS(=O)(CC1CC1)=O)c2)c5cc4nnc(NC(=O)C3CC3)c4cc5 |
| InChI | InChI | 1.03 | InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26) |
| InChIKey | InChI | 1.03 | USXZHEGWWNBLBI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1n[nH]c2cc(ccc12)c3cccc(N[S](=O)(=O)CC4CC4)c3)C5CC5 |
| SMILES | CACTVS | 3.385 | O=C(Nc1n[nH]c2cc(ccc12)c3cccc(N[S](=O)(=O)CC4CC4)c3)C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)NS(=O)(=O)CC2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)NS(=O)(=O)CC2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5 |
