NYV
Summary
Name: | 1-(propan-2-yl)-1H-imidazole-4-sulfonamide |
Formula: | C6 H11 N3 O2 S |
Formal charge: | 0 |
Formula weight: | 189.235 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-(propan-2-yl)-1H-imidazole-4-sulfonamide |
OpenEye OEToolkits | 2.0.6 | 1-propan-2-ylimidazole-4-sulfonamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1(cnc(S(N)(=O)=O)c1)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C6H11N3O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11) |
InChIKey | InChI | 1.03 | DEJLCHRMKBBNPV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1cnc(c1)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | CC(C)n1cnc(c1)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)n1cc(nc1)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)n1cc(nc1)S(=O)(=O)N |