BO1
Summary
| Name: | N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine |
| Synonyms: | N-[4-(AMINOSULFONYL)PHENYL]-BETA-D-GLUCOPYRANOSYLAMINE N-(4-sulfamoylphenyl)-beta-D-glucosylamine; N-(4-sulfamoylphenyl)-D-glucosylamine; N-(4-sulfamoylphenyl)-glucosylamine |
| Formula: | C12 H18 N2 O7 S |
| Formal charge: | 0 |
| Formula weight: | 334.346 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | 4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N)c1ccc(cc1)NC2OC(C(O)C(O)C2O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
| SMILES | CACTVS | 3.341 | N[S](=O)(=O)c1ccc(N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1NC2C(C(C(C(O2)CO)O)O)O)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H18N2O7S/c13-22(19,20)7-3-1-6(2-4-7)14-12-11(18)10(17)9(16)8(5-15)21-12/h1-4,8-12,14-18H,5H2,(H2,13,19,20)/t8-,9-,10+,11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | RMCYKIOWPVOBJX-RMPHRYRLSA-N |
