1VQ
Summary
| Name: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl sulfamate |
| Formula: | C6 H10 N4 O5 S |
| Formal charge: | 0 |
| Formula weight: | 250.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl sulfamate |
| OpenEye OEToolkits | 1.7.6 | 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl sulfamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cnc(n1CCOS(=O)(=O)N)C |
| InChI | InChI | 1.03 | InChI=1S/C6H10N4O5S/c1-5-8-4-6(10(11)12)9(5)2-3-15-16(7,13)14/h4H,2-3H2,1H3,(H2,7,13,14) |
| InChIKey | InChI | 1.03 | PBAHHCUVLKOILA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncc(n1CCO[S](N)(=O)=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Cc1ncc(n1CCO[S](N)(=O)=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ncc(n1CCOS(=O)(=O)N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ncc(n1CCOS(=O)(=O)N)[N+](=O)[O-] |
