4-chloranyl-3-oxidanylidene-butanoic acid; 4-(ethylsulfamoyl)benzamide

Systemtic Name: 4-chloranyl-3-oxidanylidene-butanoic acid; 4-(ethylsulfamoyl)benzamide Openeye Name: 4-chloro-3-oxo-butanoic acid; 4-(ethylsulfamoyl)benzamide CAS Name: 4-chloro-3-oxobutanoic acid; 4-(ethylsulfamoyl)benzamide IUPAC Name: 4-chloro-3-oxobutanoic acid; 4-(ethylsulfamoyl)benzamide Traditional Name: 4-chloro-3-keto-butyric acid; 4-(ethylsulfamoyl)benzamide Formula: C13H17ClN2O6S MolecularWeight: 364.80188

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N.C(C(=O)CCl)C(=O)O

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N.C(C(=O)CCl)C(=O)O

InChI

InChI=1S/C9H12N2O3S.C4H5ClO3/c1-2-11-15(13,14)8-5-3-7(4-6-8)9(10)12;5-2-3(6)1-4(7)8/h3-6,11H,2H2,1H3,(H2,10,12);1-2H2,(H,7,8)