[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-sulfamoyl-benzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-sulfamoyl-benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 2-methoxy-5-sulfamoyl-benzoate CAS Name: 2-methoxy-5-sulfamoylbenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate Traditional Name: 2-methoxy-5-sulfamoyl-benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C16H15IN2O6S MolecularWeight: 490.26957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C16H15IN2O6S/c1-24-14-6-5-12(26(18,22)23)8-13(14)16(21)25-9-15(20)19-11-4-2-3-10(17)7-11/h2-8H,9H2,1H3,(H,19,20)(H2,18,22,23)