| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CCN1c3c2c(C1=O)cccc2c(cc3)NS(=O)(c4c(cccc4)C(OC)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C21H18N2O5S/c1-3-23-17-12-11-16(13-8-6-9-15(19(13)17)20(23)24)22-29(26,27)18-10-5-4-7-14(18)21(25)28-2/h4-12,22H,3H2,1-2H3 |
| InChIKey | InChI | 1.03 | XYXMTYNVLDJNPM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccccc4C(=O)OC)ccc1c23 |
| SMILES | CACTVS | 3.385 | CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccccc4C(=O)OC)ccc1c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4C(=O)OC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4C(=O)OC |
