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Summary

Name:N-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide
Formula:C19 H20 N2 O3 S2
Formal charge:0
Molecular weight:388.504 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide
OpenEye OEToolkits2.0.7~{N}-[(4-cyanophenyl)methylsulfonyl]-1-thiophen-3-yl-cyclohexane-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(ccc1CS(NC(C2(CCCCC2)c3ccsc3)=O)(=O)=O)C#N
InChIInChI1.03InChI=1S/C19H20N2O3S2/c20-12-15-4-6-16(7-5-15)14-26(23,24)21-18(22)19(9-2-1-3-10-19)17-8-11-25-13-17/h4-8,11,13H,1-3,9-10,14H2,(H,21,22)
InChIKeyInChI1.03KAEXAGMLFGNNER-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(N[S](=O)(=O)Cc1ccc(cc1)C#N)C2(CCCCC2)c3cscc3
SMILESCACTVS3.385O=C(N[S](=O)(=O)Cc1ccc(cc1)C#N)C2(CCCCC2)c3cscc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccsc3)C#N
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccsc3)C#N