| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | CN(C)c1cccc2c1cccc2[S](=O)(=O)N[C@@H](CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.352 | CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H20N2O6S/c1-19(2)14-7-3-6-12-11(14)5-4-8-15(12)26(24,25)18-13(17(22)23)9-10-16(20)21/h3-8,13,18H,9-10H2,1-2H3,(H,20,21)(H,22,23)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | OXWKCHDQOLCMPE-ZDUSSCGKSA-N |
