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

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C25H25IN2O5S MolecularWeight: 592.44587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C25H25IN2O5S/c1-2-3-6-18-11-13-21(14-12-18)28-34(31,32)23-10-4-7-19(15-23)25(30)33-17-24(29)27-22-9-5-8-20(26)16-22/h4-5,7-16,28H,2-3,6,17H2,1H3,(H,27,29)