| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H25ClN2O6S/c1-15(36-27(33)17-8-6-16(13-29)7-9-17)20-4-3-5-21-23(25(26(31)32)30-24(20)21)18-10-11-19(22(28)12-18)14-37(2,34)35/h3-12,15,30H,13-14,29H2,1-2H3,(H,31,32)/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | XWLZXMNTBNSDQV-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](OC(=O)c1ccc(CN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(Cl)c4 |
| SMILES | CACTVS | 3.385 | C[CH](OC(=O)c1ccc(CN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(Cl)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O)OC(=O)c4ccc(cc4)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O)OC(=O)c4ccc(cc4)CN |
