| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1ccccc1)Cc4cc(cc(OCc2ccc(cc2)CN3C(CCC3)CO)c4)C |
| InChI | InChI | 1.03 | InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 |
| InChIKey | InChI | 1.03 | NPUXORBZRBIOMQ-RUZDIDTESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C[S](=O)(=O)c2ccccc2)cc(OCc3ccc(CN4CCC[C@@H]4CO)cc3)c1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C[S](=O)(=O)c2ccccc2)cc(OCc3ccc(CN4CCC[CH]4CO)cc3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCCC3CO)CS(=O)(=O)c4ccccc4 |
