methyl 5-bromanyl-2-[(3-methylsulfanylphenyl)sulfamoyl]benzoate

Systemtic Name: methyl 5-bromanyl-2-[(3-methylsulfanylphenyl)sulfamoyl]benzoate Openeye Name: methyl 5-bromo-2-[(3-methylsulfanylphenyl)sulfamoyl]benzoate CAS Name: 5-bromo-2-[[3-(methylthio)phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[(3-methylsulfanylphenyl)sulfamoyl]benzoate Traditional Name: 5-bromo-2-[[3-(methylthio)phenyl]sulfamoyl]benzoic acid methyl ester Formula: C15H14BrNO4S2 MolecularWeight: 416.30996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C15H14BrNO4S2/c1-21-15(18)13-8-10(16)6-7-14(13)23(19,20)17-11-4-3-5-12(9-11)22-2/h3-9,17H,1-2H3