[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C27H29IN2O5S MolecularWeight: 620.49903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)I)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)I)C

InChI

InChI=1S/C27H29IN2O5S/c1-17-6-9-20(27(3,4)5)15-24(17)36(33,34)30-22-11-7-19(8-12-22)26(32)35-16-25(31)29-23-13-10-21(28)14-18(23)2/h6-15,30H,16H2,1-5H3,(H,29,31)