methyl 4-[2-[[2,3-bis(iodanyl)phenyl]methyl-(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfonyloxybenzoate

Systemtic Name: methyl 4-[2-[[2,3-bis(iodanyl)phenyl]methyl-(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfonyloxybenzoate Openeye Name: methyl 4-[2-[3-cyano-N-[(2,3-diiodophenyl)methyl]anilino]-2-oxo-ethyl]sulfonyloxybenzoate CAS Name: 4-[2-[3-cyano-N-[(2,3-diiodophenyl)methyl]anilino]-2-oxoethyl]sulfonyloxybenzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-cyano-N-[(2,3-diiodophenyl)methyl]anilino]-2-oxoethyl]sulfonyloxybenzoate Traditional Name: 4-[2-(3-cyano-N-(2,3-diiodobenzyl)anilino)-2-keto-ethyl]sulfonyloxybenzoic acid methyl ester Formula: C24H18I2N2O6S MolecularWeight: 716.28346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OS(=O)(=O)CC(=O)N(CC2=C(C(=CC=C2)I)I)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OS(=O)(=O)CC(=O)N(CC2=C(C(=CC=C2)I)I)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H18I2N2O6S/c1-33-24(30)17-8-10-20(11-9-17)34-35(31,32)15-22(29)28(19-6-2-4-16(12-19)13-27)14-18-5-3-7-21(25)23(18)26/h2-12H,14-15H2,1H3