| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C14H14N3O4S/c18-13-11-7-3-1-2-4-9(7)22-14(11)16-12(15-13)8-5-6-10(21-8)17(19)20/h5-6,12,16,19H,1-4H2,(H,15,18)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | MOKSPNCNIWVHBB-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1oc(cc1)[C@H]2NC(=O)c3c(N2)sc4CCCCc34 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1oc(cc1)[CH]2NC(=O)c3c(N2)sc4CCCCc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(oc1[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(oc1C2Nc3c(c4c(s3)CCCC4)C(=O)N2)[N+](=O)[O-] |
