Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ccccc1CNC3C2OC(OC2)C(C3O)Sc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C19H21NO3S/c21-17-16(20-11-13-7-3-1-4-8-13)15-12-22-19(23-15)18(17)24-14-9-5-2-6-10-14/h1-10,15-21H,11-12H2/t15-,16-,17+,18-,19-/m1/s1 |
InChIKey | InChI | 1.03 | PZKNEARJFSZCKB-UJWQCDCRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@H](NCc2ccccc2)[C@H]3CO[C@H](O3)[C@@H]1Sc4ccccc4 |
SMILES | CACTVS | 3.385 | O[CH]1[CH](NCc2ccccc2)[CH]3CO[CH](O3)[CH]1Sc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)Sc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNC2C3COC(O3)C(C2O)Sc4ccccc4 |