RYZ

N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide

Created: 2011-05-16
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count0
Bond Count33
Aromatic Bond Count6
2D diagram of RYZ

Chemical Component Summary

NameN-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide
Systematic Name (OpenEye OEToolkits)N-[2,2,3,3,4,4,4-heptakis(fluoranyl)butyl]-4-sulfamoyl-benzamide
FormulaC11 H9 F7 N2 O3 S
Molecular Weight382.255
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)cc1
SMILESCACTVS3.370N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)F
SMILESOpenEye OEToolkits1.7.2c1cc(ccc1C(=O)NCC(C(C(F)(F)F)(F)F)(F)F)S(=O)(=O)N
Canonical SMILESCACTVS3.370 N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)F
Canonical SMILESOpenEye OEToolkits1.7.2 c1cc(ccc1C(=O)NCC(C(C(F)(F)F)(F)F)(F)F)S(=O)(=O)N
InChIInChI1.03 InChI=1S/C11H9F7N2O3S/c12-9(13,10(14,15)11(16,17)18)5-20-8(21)6-1-3-7(4-2-6)24(19,22)23/h1-4H,5H2,(H,20,21)(H2,19,22,23)
InChIKeyInChI1.03 NITAUHAUSHVTPT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 10091273
ChEMBL CHEMBL309012