3-[bis[2-(4-methylphenyl)ethyl]sulfamoyl]-5-iodanyl-benzoic acid

Systemtic Name: 3-[bis[2-(4-methylphenyl)ethyl]sulfamoyl]-5-iodanyl-benzoic acid Openeye Name: 3-[bis[2-(p-tolyl)ethyl]sulfamoyl]-5-iodo-benzoic acid CAS Name: 3-[bis[2-(4-methylphenyl)ethyl]sulfamoyl]-5-iodobenzoic acid IUPAC Name: 3-[bis[2-(4-methylphenyl)ethyl]sulfamoyl]-5-iodobenzoic acid Traditional Name: 3-[bis[2-(p-tolyl)ethyl]sulfamoyl]-5-iodo-benzoic acid Formula: C25H26INO4S MolecularWeight: 563.44771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCN(CCC2=CC=C(C=C2)C)S(=O)(=O)C3=CC(=CC(=C3)C(=O)O)I

Isomeric SMILES

CC1=CC=C(C=C1)CCN(CCC2=CC=C(C=C2)C)S(=O)(=O)C3=CC(=CC(=C3)C(=O)O)I

InChI

InChI=1S/C25H26INO4S/c1-18-3-7-20(8-4-18)11-13-27(14-12-21-9-5-19(2)6-10-21)32(30,31)24-16-22(25(28)29)15-23(26)17-24/h3-10,15-17H,11-14H2,1-2H3,(H,28,29)