(2S)-2-[(4-bromophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propanamide Openeye Name: (2S)-2-[(4-bromophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propanamide CAS Name: (2S)-2-[(4-bromophenyl)methylthio]-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide IUPAC Name: (2S)-2-[(4-bromophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide Traditional Name: (2S)-2-[(4-bromobenzyl)thio]-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propionamide Formula: C21H27BrN2O3S2 MolecularWeight: 499.48468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)SCC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@H](C)SCC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C21H27BrN2O3S2/c1-5-24(6-2)29(26,27)20-13-19(12-7-15(20)3)23-21(25)16(4)28-14-17-8-10-18(22)11-9-17/h7-13,16H,5-6,14H2,1-4H3,(H,23,25)/t16-/m0/s1