[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-sulfamoyl-benzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-sulfamoyl-benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 4-methoxy-3-sulfamoyl-benzoate CAS Name: 4-methoxy-3-sulfamoylbenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate Traditional Name: 4-methoxy-3-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)C(=O)OCC(=O)NC2=CC(=CC=C2)I)S(=O)(=O)N

Isomeric SMILES

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

InChI

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