| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | NS(=O)(=O)c1ccc(CCN(Cc2ccco2)C(=O)CN)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C15H19N3O4S/c16-10-15(19)18(11-13-2-1-9-22-13)8-7-12-3-5-14(6-4-12)23(17,20)21/h1-6,9H,7-8,10-11,16H2,(H2,17,20,21) |
| InChIKey | InChI | 1.03 | FUWNKEOJTVZTMM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC(=O)N(CCc1ccc(cc1)[S](N)(=O)=O)Cc2occc2 |
| SMILES | CACTVS | 3.385 | NCC(=O)N(CCc1ccc(cc1)[S](N)(=O)=O)Cc2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)CN(CCc2ccc(cc2)S(=O)(=O)N)C(=O)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)CN(CCc2ccc(cc2)S(=O)(=O)N)C(=O)CN |
