| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1cc(C(O)=O)c(NCc2occc2)cc1Cl |
| SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1cc(C(O)=O)c(NCc2occc2)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19) |
| InChIKey | InChI | 1.03 | ZZUFCTLCJUWOSV-UHFFFAOYSA-N |
