5-(dimethylsulfamoyl)-2-[(4-iodophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 5-(dimethylsulfamoyl)-2-[(4-iodophenyl)methylsulfanyl]benzoic acid Openeye Name: 5-(dimethylsulfamoyl)-2-[(4-iodophenyl)methylsulfanyl]benzoic acid CAS Name: 5-(dimethylsulfamoyl)-2-[(4-iodophenyl)methylthio]benzoic acid IUPAC Name: 5-(dimethylsulfamoyl)-2-[(4-iodophenyl)methylsulfanyl]benzoic acid Traditional Name: 5-(dimethylsulfamoyl)-2-[(4-iodobenzyl)thio]benzoic acid Formula: C16H16INO4S2 MolecularWeight: 477.33701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16INO4S2/c1-18(2)24(21,22)13-7-8-15(14(9-13)16(19)20)23-10-11-3-5-12(17)6-4-11/h3-9H,10H2,1-2H3,(H,19,20)