[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C17H16INO5S MolecularWeight: 473.28211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16INO5S/c1-11-6-7-14(25(2,22)23)9-15(11)17(21)24-10-16(20)19-13-5-3-4-12(18)8-13/h3-9H,10H2,1-2H3,(H,19,20)