| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccc([N+]([O-])=O)cc2)CNC3)Cc4ccccc4)c5cc([N+]([O-])=O)ccc5 |
| InChI | InChI | 1.03 | InChI=1S/C30H29N5O8S2/c36-34(37)25-14-16-27(17-15-25)44(40,41)32(21-23-8-3-1-4-9-23)29-19-31-20-30(29)33(22-24-10-5-2-6-11-24)45(42,43)28-13-7-12-26(18-28)35(38)39/h1-18,29-31H,19-22H2/t29-,30-/m0/s1 |
| InChIKey | InChI | 1.03 | UIVYXDOCCSVDSG-KYJUHHDHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1ccc(cc1)[S](=O)(=O)N(Cc2ccccc2)[C@H]3CNC[C@@H]3N(Cc4ccccc4)[S](=O)(=O)c5cccc(c5)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1ccc(cc1)[S](=O)(=O)N(Cc2ccccc2)[CH]3CNC[CH]3N(Cc4ccccc4)[S](=O)(=O)c5cccc(c5)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4cccc(c4)[N+](=O)[O-])S(=O)(=O)c5ccc(cc5)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CN(C2CNCC2N(Cc3ccccc3)S(=O)(=O)c4cccc(c4)[N+](=O)[O-])S(=O)(=O)c5ccc(cc5)[N+](=O)[O-] |
