Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1 |
InChIKey | InChI | 1.03 | ZWPJBXLFZFLGMV-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCC[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(OC[C@H]4CN(CCO4)C5COC5)c2 |
SMILES | CACTVS | 3.385 | COCC[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(OC[CH]4CN(CCO4)C5COC5)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCS(=O)(=O)Nc1cc(cnc1OC)c2cc3c(c(c2)OC[C@H]4CN(CCO4)C5COC5)COC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | COCCS(=O)(=O)Nc1cc(cnc1OC)c2cc3c(c(c2)OCC4CN(CCO4)C5COC5)COC3 |