| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(c1c(c3c2n1CCCS(=O)c2ccc3)CCCOc4cccc5c4cccc5)=O |
| InChI | InChI | 1.03 | InChI=1S/C25H23NO4S/c27-25(28)24-20(19-10-4-13-22-23(19)26(24)14-6-16-31(22)29)11-5-15-30-21-12-3-8-17-7-1-2-9-18(17)21/h1-4,7-10,12-13H,5-6,11,14-16H2,(H,27,28)/t31-/m1/s1 |
| InChIKey | InChI | 1.03 | RWBITVLVWMQUOJ-WJOKGBTCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1n2CCC[S@@](=O)c3cccc(c1CCCOc4cccc5ccccc45)c23 |
| SMILES | CACTVS | 3.385 | OC(=O)c1n2CCC[S](=O)c3cccc(c1CCCOc4cccc5ccccc45)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O |
