VGS
Summary
| Name: | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
| Formula: | C7 H12 N4 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 264.325 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | 2,2-dimethyl-~{N}-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(C(Nc1nnc(S(N)(=O)=O)s1)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12) |
| InChIKey | InChI | 1.03 | FNKGYWFCFILCJW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C(=O)Nc1sc(nn1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)C(=O)Nc1sc(nn1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)Nc1nnc(s1)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)Nc1nnc(s1)S(=O)(=O)N |
