5-[bis(2-methoxyethyl)sulfamoyl]-2-[(4-iodophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(4-iodophenyl)methylsulfanyl]benzoic acid Openeye Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(4-iodophenyl)methylsulfanyl]benzoic acid CAS Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(4-iodophenyl)methylthio]benzoic acid IUPAC Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(4-iodophenyl)methylsulfanyl]benzoic acid Traditional Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(4-iodobenzyl)thio]benzoic acid Formula: C20H24INO6S2 MolecularWeight: 565.44213

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=C(C=C2)I)C(=O)O

Isomeric SMILES

COCCN(CCOC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=C(C=C2)I)C(=O)O

InChI

InChI=1S/C20H24INO6S2/c1-27-11-9-22(10-12-28-2)30(25,26)17-7-8-19(18(13-17)20(23)24)29-14-15-3-5-16(21)6-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,23,24)