TOR

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Summary

Name:[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
Synonyms:topiramate
Formula:C12 H21 N O8 S
Formal charge:0
Molecular weight:339.362 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (non-preferred name)

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(OCC23OCC1OC(OC1C3OC(O2)(C)C)(C)C)N
SMILES_CANONICALCACTVS3.341CC1(C)O[C@@H]2CO[C@@]3(CO[S](N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
SMILESCACTVS3.341CC1(C)O[CH]2CO[C]3(CO[S](N)(=O)=O)OC(C)(C)O[CH]3[CH]2O1
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C
SMILESOpenEye OEToolkits1.5.0CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C
InChIInChI1.03InChI=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
InChIKeyInChI1.03KJADKKWYZYXHBB-XBWDGYHZSA-N