methyl 2-(butylcarbamoylsulfamoyl)-4-iodanyl-benzoate

Systemtic Name: methyl 2-(butylcarbamoylsulfamoyl)-4-iodanyl-benzoate Openeye Name: methyl 2-(butylcarbamoylsulfamoyl)-4-iodo-benzoate CAS Name: 2-[[butylamino(oxo)methyl]sulfamoyl]-4-iodobenzoic acid methyl ester IUPAC Name: methyl 2-(butylcarbamoylsulfamoyl)-4-iodobenzoate Traditional Name: 2-(butylcarbamoylsulfamoyl)-4-iodo-benzoic acid methyl ester Formula: C13H17IN2O5S MolecularWeight: 440.25395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)I)C(=O)OC

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)I)C(=O)OC

InChI

InChI=1S/C13H17IN2O5S/c1-3-4-7-15-13(18)16-22(19,20)11-8-9(14)5-6-10(11)12(17)21-2/h5-6,8H,3-4,7H2,1-2H3,(H2,15,16,18)