| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(C)(CN(C)C)S(=O)(=O)c3ccc(c1cnc(c(n1)C(=O)Nc2ccccc2)N)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | GNEFGLFGNKFHAR-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CN(C)C)[S](=O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3ccccc3 |
| SMILES | CACTVS | 3.385 | C[CH](CN(C)C)[S](=O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](CN(C)C)S(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3ccccc3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CN(C)C)S(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3ccccc3)N |
