2-(4-bromophenyl)sulfanyl-5-[ethyl-(3-methylphenyl)sulfamoyl]benzoic acid

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-[ethyl-(3-methylphenyl)sulfamoyl]benzoic acid Openeye Name: 2-(4-bromophenyl)sulfanyl-5-[ethyl(m-tolyl)sulfamoyl]benzoic acid CAS Name: 2-[(4-bromophenyl)thio]-5-[ethyl-(3-methylphenyl)sulfamoyl]benzoic acid IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-[ethyl-(3-methylphenyl)sulfamoyl]benzoic acid Traditional Name: 2-[(4-bromophenyl)thio]-5-[ethyl(m-tolyl)sulfamoyl]benzoic acid Formula: C22H20BrNO4S2 MolecularWeight: 506.4325

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C22H20BrNO4S2/c1-3-24(17-6-4-5-15(2)13-17)30(27,28)19-11-12-21(20(14-19)22(25)26)29-18-9-7-16(23)8-10-18/h4-14H,3H2,1-2H3,(H,25,26)