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IUK

Summary
Name:4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide
Synonyms:Y48
Formula:C22 H23 N3 O3 S
Formal charge:0
Formula weight:409.501 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H23N3O3S/c1-15-4-10-20(11-5-15)29(27,28)25-21-12-19(9-6-16(21)2)22(26)24-14-18-8-7-17(3)23-13-18/h4-13,25H,14H2,1-3H3,(H,24,26)
InChIKeyInChI1.06ZKRBQBKMMRYJKN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(cc1)[S](=O)(=O)Nc2cc(ccc2C)C(=O)NCc3ccc(C)nc3
SMILESCACTVS3.385Cc1ccc(cc1)[S](=O)(=O)Nc2cc(ccc2C)C(=O)NCc3ccc(C)nc3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)C(=O)NCc3ccc(nc3)C
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)C(=O)NCc3ccc(nc3)C

223532

PDB entries from 2024-08-07

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