Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(OCC23OCC1OC(OC1C3OC(O2)(C)C)(C)C)N |
SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)O[C@@H]2CO[C@@]3(CO[S](N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |
SMILES | CACTVS | 3.341 | CC1(C)O[CH]2CO[C]3(CO[S](N)(=O)=O)OC(C)(C)O[CH]3[CH]2O1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C |
InChI | InChI | 1.03 | InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 |
InChIKey | InChI | 1.03 | KJADKKWYZYXHBB-XBWDGYHZSA-N |