| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2cccc(c2Oc1ccc(cc1)S(=O)(=O)NCCN(CC)CC)N(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C18H22ClN3O5S/c1-3-21(4-2)13-12-20-28(25,26)15-10-8-14(9-11-15)27-18-16(19)6-5-7-17(18)22(23)24/h5-11,20H,3-4,12-13H2,1-2H3 |
| InChIKey | InChI | 1.03 | NBPRMWUQGSKNES-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCN(CC)CCN[S](=O)(=O)c1ccc(Oc2c(Cl)cccc2[N+]([O-])=O)cc1 |
| SMILES | CACTVS | 3.370 | CCN(CC)CCN[S](=O)(=O)c1ccc(Oc2c(Cl)cccc2[N+]([O-])=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Oc2c(cccc2Cl)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Oc2c(cccc2Cl)[N+](=O)[O-] |
