| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c2ccc(C)c(Nc1c(C(O)=O)ccc(c1)C)c2S(=O)(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C16H17NO4S/c1-10-7-8-12(16(18)19)13(9-10)17-15-11(2)5-4-6-14(15)22(3,20)21/h4-9,17H,1-3H3,(H,18,19) |
| InChIKey | InChI | 1.03 | ATXRRHMCJFBFND-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C(O)=O)c(Nc2c(C)cccc2[S](C)(=O)=O)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(C(O)=O)c(Nc2c(C)cccc2[S](C)(=O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(c(c1)Nc2c(cccc2S(=O)(=O)C)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(c(c1)Nc2c(cccc2S(=O)(=O)C)C)C(=O)O |
