(4-methylsulfanylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid [4-(methylthio)benzyl] ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H21NO4S2/c1-23(19-8-4-3-5-9-19)29(25,26)21-10-6-7-18(15-21)22(24)27-16-17-11-13-20(28-2)14-12-17/h3-15H,16H2,1-2H3