methyl 4-[[5-(dimethylsulfamoyl)-2-iodanyl-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[5-(dimethylsulfamoyl)-2-iodanyl-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[5-(dimethylsulfamoyl)-2-iodo-benzoyl]amino]butanoate CAS Name: 4-[[[5-(dimethylsulfamoyl)-2-iodophenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[5-(dimethylsulfamoyl)-2-iodobenzoyl]amino]butanoate Traditional Name: 4-[[5-(dimethylsulfamoyl)-2-iodo-benzoyl]amino]butyric acid methyl ester Formula: C14H19IN2O5S MolecularWeight: 454.28053

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)I)C(=O)NCCCC(=O)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)I)C(=O)NCCCC(=O)OC

InChI

InChI=1S/C14H19IN2O5S/c1-17(2)23(20,21)10-6-7-12(15)11(9-10)14(19)16-8-4-5-13(18)22-3/h6-7,9H,4-5,8H2,1-3H3,(H,16,19)