2VQ
Summary
| Name: | N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide |
| Formula: | C6 H11 N5 O4 S |
| Formal charge: | 0 |
| Formula weight: | 249.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfuric diamide |
| OpenEye OEToolkits | 1.7.6 | 2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cnc(n1CCNS(=O)(=O)N)C |
| InChI | InChI | 1.03 | InChI=1S/C6H11N5O4S/c1-5-8-4-6(11(12)13)10(5)3-2-9-16(7,14)15/h4,9H,2-3H2,1H3,(H2,7,14,15) |
| InChIKey | InChI | 1.03 | AVSMSXHPIYIKIJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncc(n1CCN[S](N)(=O)=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Cc1ncc(n1CCN[S](N)(=O)=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ncc(n1CCNS(=O)(=O)N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ncc(n1CCNS(=O)(=O)N)[N+](=O)[O-] |
