NYV

1-(propan-2-yl)-1H-imidazole-4-sulfonamide

Created:2019-05-29
Last modified:  2019-07-10

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count23
Aromatic Bond Count5
2D diagram of NYV

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Chemical Component Summary

Name1-(propan-2-yl)-1H-imidazole-4-sulfonamide
Systematic Name (OpenEye OEToolkits)1-propan-2-ylimidazole-4-sulfonamide
FormulaC6 H11 N3 O2 S
Molecular Weight189.235
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1(cnc(S(N)(=O)=O)c1)C(C)C
SMILESCACTVS3.385CC(C)n1cnc(c1)[S](N)(=O)=O
SMILESOpenEye OEToolkits2.0.6CC(C)n1cc(nc1)S(=O)(=O)N
Canonical SMILESCACTVS3.385 CC(C)n1cnc(c1)[S](N)(=O)=O
Canonical SMILESOpenEye OEToolkits2.0.6 CC(C)n1cc(nc1)S(=O)(=O)N
InChIInChI1.03 InChI=1S/C6H11N3O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)
InChIKeyInChI1.03 DEJLCHRMKBBNPV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 71757215