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35H

Summary
Name:N-{4-[(1S)-1,2-dihydroxyethyl]benzyl}-N-methyl-4-(phenylsulfamoyl)benzamide
Formula:C23 H24 N2 O5 S
Formal charge:0
Formula weight:440.512 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{4-[(1S)-1,2-dihydroxyethyl]benzyl}-N-methyl-4-(phenylsulfamoyl)benzamide
OpenEye OEToolkits1.9.2N-[[4-[(1S)-1,2-bis(oxidanyl)ethyl]phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(Nc1ccccc1)c3ccc(C(=O)N(Cc2ccc(cc2)C(O)CO)C)cc3
InChIInChI1.03InChI=1S/C23H24N2O5S/c1-25(15-17-7-9-18(10-8-17)22(27)16-26)23(28)19-11-13-21(14-12-19)31(29,30)24-20-5-3-2-4-6-20/h2-14,22,24,26-27H,15-16H2,1H3/t22-/m1/s1
InChIKeyInChI1.03LJBXWGVECYNLLM-JOCHJYFZSA-N
SMILES_CANONICALCACTVS3.385CN(Cc1ccc(cc1)[C@H](O)CO)C(=O)c2ccc(cc2)[S](=O)(=O)Nc3ccccc3
SMILESCACTVS3.385CN(Cc1ccc(cc1)[CH](O)CO)C(=O)c2ccc(cc2)[S](=O)(=O)Nc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.9.2CN(Cc1ccc(cc1)[C@@H](CO)O)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3
SMILESOpenEye OEToolkits1.9.2CN(Cc1ccc(cc1)C(CO)O)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3

222415

PDB entries from 2024-07-10

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