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

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C16H15IN2O5S MolecularWeight: 474.27017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15IN2O5S/c1-10-5-6-13(25(18,22)23)8-14(10)16(21)24-9-15(20)19-12-4-2-3-11(17)7-12/h2-8H,9H2,1H3,(H,19,20)(H2,18,22,23)