7BX

3-cyano-~{N}-cyclopropyl-benzenesulfonamide

Created:2016-09-30
Last modified:  2016-12-21

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count26
Aromatic Bond Count6
2D diagram of 7BX

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Chemical Component Summary

Name3-cyano-~{N}-cyclopropyl-benzenesulfonamide
Systematic Name (OpenEye OEToolkits)3-cyano-~{N}-cyclopropyl-benzenesulfonamide
FormulaC10 H10 N2 O2 S
Molecular Weight222.264
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=[S](=O)(NC1CC1)c2cccc(c2)C#N
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)S(=O)(=O)NC2CC2)C#N
Canonical SMILESCACTVS3.385 O=[S](=O)(NC1CC1)c2cccc(c2)C#N
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc(cc(c1)S(=O)(=O)NC2CC2)C#N
InChIInChI1.03 InChI=1S/C10H10N2O2S/c11-7-8-2-1-3-10(6-8)15(13,14)12-9-4-5-9/h1-3,6,9,12H,4-5H2
InChIKeyInChI1.03 IQBVFUJHLUVSIM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 8469252