Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(O)CCCN2CCN(CCOC1OC(C(O)C(O)C1O)CO)CC2 |
InChI | InChI | 1.03 | InChI=1S/C15H30N2O9S/c18-10-11-12(19)13(20)14(21)15(26-11)25-8-7-17-5-3-16(4-6-17)2-1-9-27(22,23)24/h11-15,18-21H,1-10H2,(H,22,23,24)/t11-,12-,13+,14-,15-/m1/s1 |
InChIKey | InChI | 1.03 | DAJNLGJHGLHERP-UXXRCYHCSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@@H](OCCN2CCN(CCC[S](O)(=O)=O)CC2)[C@H](O)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.370 | OC[CH]1O[CH](OCCN2CCN(CCC[S](O)(=O)=O)CC2)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1CN(CCN1CCCS(=O)(=O)O)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | C1CN(CCN1CCCS(=O)(=O)O)CCOC2C(C(C(C(O2)CO)O)O)O |