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0VU

Summary
Name:4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide
Formula:C22 H23 N5 O3 S
Formal charge:0
Formula weight:437.515 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide
OpenEye OEToolkits1.7.64-[[4-(3-piperidin-1-ylcarbonylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c3cccc(c1nc(ncc1)Nc2ccc(cc2)S(=O)(=O)N)c3)N4CCCCC4
InChIInChI1.03InChI=1S/C22H23N5O3S/c23-31(29,30)19-9-7-18(8-10-19)25-22-24-12-11-20(26-22)16-5-4-6-17(15-16)21(28)27-13-2-1-3-14-27/h4-12,15H,1-3,13-14H2,(H2,23,29,30)(H,24,25,26)
InChIKeyInChI1.03AMGRGTYETFMYTK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cccc(c3)C(=O)N4CCCCC4)cc1
SMILESCACTVS3.370N[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cccc(c3)C(=O)N4CCCCC4)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)C(=O)N2CCCCC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)C(=O)N2CCCCC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N

218853

PDB entries from 2024-04-24

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