2-[(3-bromophenyl)methylsulfanyl]-5-(dimethylsulfamoyl)benzoic acid

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(dimethylsulfamoyl)benzoic acid Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(dimethylsulfamoyl)benzoic acid CAS Name: 2-[(3-bromophenyl)methylthio]-5-(dimethylsulfamoyl)benzoic acid IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(dimethylsulfamoyl)benzoic acid Traditional Name: 2-[(3-bromobenzyl)thio]-5-(dimethylsulfamoyl)benzoic acid Formula: C16H16BrNO4S2 MolecularWeight: 430.33654

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C16H16BrNO4S2/c1-18(2)24(21,22)13-6-7-15(14(9-13)16(19)20)23-10-11-4-3-5-12(17)8-11/h3-9H,10H2,1-2H3,(H,19,20)