| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N(CCC[NH3+])CCC[NH3+])c3ccc2C(=O)c1c(cccc1)C(=O)c2c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | [NH3+]CCCN(CCC[NH3+])[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 |
| SMILES | CACTVS | 3.341 | [NH3+]CCCN(CCC[NH3+])[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)N(CCC[NH3+])CCC[NH3+] |
| InChI | InChI | 1.03 | InChI=1S/C20H23N3O4S/c21-9-3-11-23(12-4-10-22)28(26,27)14-7-8-17-18(13-14)20(25)16-6-2-1-5-15(16)19(17)24/h1-2,5-8,13H,3-4,9-12,21-22H2/p+2 |
| InChIKey | InChI | 1.03 | HUHBNNVFLMYFIE-UHFFFAOYSA-P |
