| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc(c1)CCN(C(CN(CCc2ccccc2)CCC(O)=O)=O)Cc3occc3)S(N)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C26H31N3O6S/c27-36(33,34)24-10-8-22(9-11-24)13-17-29(19-23-7-4-18-35-23)25(30)20-28(16-14-26(31)32)15-12-21-5-2-1-3-6-21/h1-11,18H,12-17,19-20H2,(H,31,32)(H2,27,33,34) |
| InChIKey | InChI | 1.03 | VOLPYGCWCBVKEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CCN(Cc2occc2)C(=O)CN(CCC(O)=O)CCc3ccccc3)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CCN(Cc2occc2)C(=O)CN(CCC(O)=O)CCc3ccccc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3 |
