| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(c1ccc(C(O)=O)cc1)CSc3ccc2c(C(C(=O)N2CCCCC)=O)c3 |
| InChI | InChI | 1.03 | InChI=1S/C22H23NO4S/c1-2-3-4-12-23-19-10-9-17(14-18(19)20(24)21(23)25)28-13-11-15-5-7-16(8-6-15)22(26)27/h5-10,14H,2-4,11-13H2,1H3,(H,26,27) |
| InChIKey | InChI | 1.03 | GQIBDPIOEBGNHW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCN1C(=O)C(=O)c2cc(SCCc3ccc(cc3)C(O)=O)ccc12 |
| SMILES | CACTVS | 3.385 | CCCCCN1C(=O)C(=O)c2cc(SCCc3ccc(cc3)C(O)=O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCN1c2ccc(cc2C(=O)C1=O)SCCc3ccc(cc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCN1c2ccc(cc2C(=O)C1=O)SCCc3ccc(cc3)C(=O)O |
