2-bromanyl-5-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfamoyl]benzoic acid CAS Name: 2-bromo-5-[[4-[(3,4-dimethylphenyl)thio]phenyl]sulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[[4-[(3,4-dimethylphenyl)thio]phenyl]sulfamoyl]benzoic acid Formula: C21H18BrNO4S2 MolecularWeight: 492.40592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O)C

InChI

InChI=1S/C21H18BrNO4S2/c1-13-3-6-17(11-14(13)2)28-16-7-4-15(5-8-16)23-29(26,27)18-9-10-20(22)19(12-18)21(24)25/h3-12,23H,1-2H3,(H,24,25)