methyl 2-acetamido-4-(2-iodanylphenyl)-4-(4-methylphenyl)sulfonyl-butanoate

Systemtic Name: methyl 2-acetamido-4-(2-iodanylphenyl)-4-(4-methylphenyl)sulfonyl-butanoate Openeye Name: methyl 2-acetamido-4-(2-iodophenyl)-4-(p-tolylsulfonyl)butanoate CAS Name: 2-acetamido-4-(2-iodophenyl)-4-(4-methylphenyl)sulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-acetamido-4-(2-iodophenyl)-4-(4-methylphenyl)sulfonylbutanoate Traditional Name: 2-acetamido-4-(2-iodophenyl)-4-tosyl-butyric acid methyl ester Formula: C20H22INO5S MolecularWeight: 515.36185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC(C(=O)OC)NC(=O)C)C2=CC=CC=C2I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC(C(=O)OC)NC(=O)C)C2=CC=CC=C2I

InChI

InChI=1S/C20H22INO5S/c1-13-8-10-15(11-9-13)28(25,26)19(16-6-4-5-7-17(16)21)12-18(20(24)27-3)22-14(2)23/h4-11,18-19H,12H2,1-3H3,(H,22,23)