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

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C21H16FIN2O5S MolecularWeight: 554.330013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FIN2O5S/c22-15-7-9-17(10-8-15)25-31(28,29)19-6-1-3-14(11-19)21(27)30-13-20(26)24-18-5-2-4-16(23)12-18/h1-12,25H,13H2,(H,24,26)