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8KM

Summary
Name:N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide
Formula:C18 H18 N2 O2 S
Formal charge:0
Formula weight:326.413 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide
OpenEye OEToolkits2.0.6~{N}-(4-cyano-3-cyclopropyl-phenyl)-1-(4-methylphenyl)methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1CC1c2c(ccc(c2)NS(Cc3ccc(cc3)C)(=O)=O)C#N
InChIInChI1.03InChI=1S/C18H18N2O2S/c1-13-2-4-14(5-3-13)12-23(21,22)20-17-9-8-16(11-19)18(10-17)15-6-7-15/h2-5,8-10,15,20H,6-7,12H2,1H3
InChIKeyInChI1.03PVSUTUAFYDGUTJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(C[S](=O)(=O)Nc2ccc(C#N)c(c2)C3CC3)cc1
SMILESCACTVS3.385Cc1ccc(C[S](=O)(=O)Nc2ccc(C#N)c(c2)C3CC3)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc(cc1)CS(=O)(=O)Nc2ccc(c(c2)C3CC3)C#N
SMILESOpenEye OEToolkits2.0.6Cc1ccc(cc1)CS(=O)(=O)Nc2ccc(c(c2)C3CC3)C#N

224004

PDB entries from 2024-08-21

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