SMS
Summary
| Name: | SULFAMIC ACID 2,3-O-(1-METHYLETHYLIDENE)-4,5-O-SULFONYL-BETA-FRUCTOPYRANOSE ESTER |
| Formula: | C9 H15 N O10 S2 |
| Formal charge: | 0 |
| Formula weight: | 361.346 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(3aR,5aS,8aS,8bS)-7,7-dimethyl-2,2-dioxidotetrahydro-5aH-[1,3,2]dioxathiolo[4,5-d][1,3]dioxolo[4,5-b]pyran-5a-yl]methyl sulfamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(OCC12OCC3OS(=O)(=O)OC3C2OC(O1)(C)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)O[C@H]2[C@@H]3O[S](=O)(=O)O[C@@H]3CO[C@@]2(CO[S](N)(=O)=O)O1 |
| SMILES | CACTVS | 3.341 | CC1(C)O[CH]2[CH]3O[S](=O)(=O)O[CH]3CO[C]2(CO[S](N)(=O)=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(O[C@H]2[C@H]3[C@@H](CO[C@]2(O1)COS(=O)(=O)N)OS(=O)(=O)O3)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(OC2C3C(COC2(O1)COS(=O)(=O)N)OS(=O)(=O)O3)C |
| InChI | InChI | 1.03 | InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1 |
| InChIKey | InChI | 1.03 | GGOAQSGCBDRTHT-JAKMQLQISA-N |
