| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c3ccccc3c1cc(C(=O)C)n2c1cc(OCCC)cc2)C |
| InChI | InChI | 1.03 | InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3 |
| InChIKey | InChI | 1.03 | KHWCPNJRJCNVRI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCOc1ccn2c(cc(c2c1)c3ccccc3[S](C)(=O)=O)C(C)=O |
| SMILES | CACTVS | 3.385 | CCCOc1ccn2c(cc(c2c1)c3ccccc3[S](C)(=O)=O)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCOc1ccn2c(c1)c(cc2C(=O)C)c3ccccc3S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCOc1ccn2c(c1)c(cc2C(=O)C)c3ccccc3S(=O)(=O)C |
