2-(4-bromophenyl)sulfanyl-5-(diethylsulfamoyl)benzoic acid

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-(diethylsulfamoyl)benzoic acid Openeye Name: 2-(4-bromophenyl)sulfanyl-5-(diethylsulfamoyl)benzoic acid CAS Name: 2-[(4-bromophenyl)thio]-5-(diethylsulfamoyl)benzoic acid IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-(diethylsulfamoyl)benzoic acid Traditional Name: 2-[(4-bromophenyl)thio]-5-(diethylsulfamoyl)benzoic acid Formula: C17H18BrNO4S2 MolecularWeight: 444.36312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H18BrNO4S2/c1-3-19(4-2)25(22,23)14-9-10-16(15(11-14)17(20)21)24-13-7-5-12(18)6-8-13/h5-11H,3-4H2,1-2H3,(H,20,21)