3-[bis[(4-propan-2-ylphenyl)methyl]sulfamoyl]-5-iodanyl-benzoic acid

Systemtic Name: 3-[bis[(4-propan-2-ylphenyl)methyl]sulfamoyl]-5-iodanyl-benzoic acid Openeye Name: 3-[bis[(4-isopropylphenyl)methyl]sulfamoyl]-5-iodo-benzoic acid CAS Name: 3-[bis[(4-propan-2-ylphenyl)methyl]sulfamoyl]-5-iodobenzoic acid IUPAC Name: 3-[bis[(4-propan-2-ylphenyl)methyl]sulfamoyl]-5-iodobenzoic acid Traditional Name: 3-[bis(4-isopropylbenzyl)sulfamoyl]-5-iodo-benzoic acid Formula: C27H30INO4S MolecularWeight: 591.50087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(C)C)S(=O)(=O)C3=CC(=CC(=C3)C(=O)O)I

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(C)C)S(=O)(=O)C3=CC(=CC(=C3)C(=O)O)I

InChI

InChI=1S/C27H30INO4S/c1-18(2)22-9-5-20(6-10-22)16-29(17-21-7-11-23(12-8-21)19(3)4)34(32,33)26-14-24(27(30)31)13-25(28)15-26/h5-15,18-19H,16-17H2,1-4H3,(H,30,31)