B19
Summary
| Name: | N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-D]PYRAN-3A-YL]METHYL}SULFAMIDE |
| Formula: | C12 H22 N2 O7 S |
| Formal charge: | 0 |
| Formula weight: | 338.377 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl}sulfamide (non-preferred name) |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N)NCC23OCC1OC(OC1C3OC(O2)(C)C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)O[C@@H]2CO[C@@]3(CN[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(CN[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)CNS(=O)(=O)N)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CNS(=O)(=O)N)C |
| InChI | InChI | 1.03 | InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1 |
| InChIKey | InChI | 1.03 | NQRKKQKMTGLNOZ-XBWDGYHZSA-N |
