[3-(dimethylsulfamoyl)phenyl]methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C18H20BrNO4S2 MolecularWeight: 458.3897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C18H20BrNO4S2/c1-13-9-15(19)7-8-17(13)25-12-18(21)24-11-14-5-4-6-16(10-14)26(22,23)20(2)3/h4-10H,11-12H2,1-3H3