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TQ8

Summary
Name:N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide
Synonyms:CAS329306
Formula:C17 H18 Cl N O3 S
Formal charge:0
Formula weight:351.848 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.1N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352Cc1ccc(cc1)[S](=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl
SMILESCACTVS3.352Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CCl
SMILES_CANONICALOpenEye OEToolkits1.6.1Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl
SMILESOpenEye OEToolkits1.6.1Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl
InChIInChI1.03InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1
InChIKeyInChI1.03MQUQNUAYKLCRME-INIZCTEOSA-N

218853

PDB entries from 2024-04-24

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