| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C18H21N5O3S/c1-11(19)18(24)20-13-7-8-16-15(10-13)17(22-21-16)12-5-4-6-14(9-12)27(25,26)23(2)3/h4-11H,19H2,1-3H3,(H,20,24)(H,21,22)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | HKVYLIVZRUYPKC-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1 |
| SMILES | CACTVS | 3.385 | C[CH](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N |
