| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-13-16(21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | GRIQMCZUTORETQ-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCNC[C@H]2Cc3ccccc3 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCNC[CH]2Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@@H]2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N |
