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2HJ

Summary
Name:4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
Formula:C23 H25 N3 O3 S
Formal charge:0
Formula weight:423.528 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
OpenEye OEToolkits1.7.64-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-pyridin-3-yl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cccnc1)c2ccc(cc2)CNS(=O)(=O)c3ccc(cc3)C(C)(C)C
InChIInChI1.03InChI=1S/C23H25N3O3S/c1-23(2,3)19-10-12-21(13-11-19)30(28,29)25-15-17-6-8-18(9-7-17)22(27)26-20-5-4-14-24-16-20/h4-14,16,25H,15H2,1-3H3,(H,26,27)
InChIKeyInChI1.03NGQPRVWTFNBUHA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)c1ccc(cc1)[S](=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3
SMILESCACTVS3.385CC(C)(C)c1ccc(cc1)[S](=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3
SMILESOpenEye OEToolkits1.7.6CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3

223532

PDB entries from 2024-08-07

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