| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1c[NH]c2ncc(Cl)cc21)N1CCCC(C(=O)O)C1C |
| InChI | InChI | 1.03 | InChI=1S/C14H16ClN3O4S/c1-8-10(14(19)20)3-2-4-18(8)23(21,22)12-7-17-13-11(12)5-9(15)6-16-13/h5-8,10H,2-4H2,1H3,(H,16,17)(H,19,20)/t8-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | USMKACAPCCXDJA-SCZZXKLOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1[C@H](CCCN1[S](=O)(=O)c2c[nH]c3ncc(Cl)cc23)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1[CH](CCCN1[S](=O)(=O)c2c[nH]c3ncc(Cl)cc23)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1[C@H](CCCN1S(=O)(=O)c2c[nH]c3c2cc(cn3)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(CCCN1S(=O)(=O)c2c[nH]c3c2cc(cn3)Cl)C(=O)O |
