| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C3(N(C)C=CC(NC(CN(C)S(c2cc(cc1cnnc12)C)(=O)=O)=O)=C3)=O |
| InChI | InChI | 1.03 | InChI=1S/C17H19N5O4S/c1-11-6-12-9-18-20-17(12)14(7-11)27(25,26)22(3)10-15(23)19-13-4-5-21(2)16(24)8-13/h4-9H,10H2,1-3H3,(H,18,20)(H,19,23) |
| InChIKey | InChI | 1.03 | PMYKBSXBMRYDGS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CC(=O)NC1=CC(=O)N(C)C=C1)[S](=O)(=O)c2cc(C)cc3cn[nH]c23 |
| SMILES | CACTVS | 3.385 | CN(CC(=O)NC1=CC(=O)N(C)C=C1)[S](=O)(=O)c2cc(C)cc3cn[nH]c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2cn[nH]c2c(c1)S(=O)(=O)N(C)CC(=O)NC3=CC(=O)N(C=C3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2cn[nH]c2c(c1)S(=O)(=O)N(C)CC(=O)NC3=CC(=O)N(C=C3)C |
