4-[4-chloranyl-3-(2,2-diethoxyethylsulfamoyl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-chloranyl-3-(2,2-diethoxyethylsulfamoyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-chloro-3-(2,2-diethoxyethylsulfamoyl)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-chloro-3-(2,2-diethoxyethylsulfamoyl)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-chloro-3-(2,2-diethoxyethylsulfamoyl)phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-chloro-3-(2,2-diethoxyethylsulfamoyl)phenyl]-4-keto-butyric acid Formula: C16H22ClNO7S MolecularWeight: 407.86638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)CCC(=O)O)Cl)OCC

Isomeric SMILES

CCOC(CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)CCC(=O)O)Cl)OCC

InChI

InChI=1S/C16H22ClNO7S/c1-3-24-16(25-4-2)10-18-26(22,23)14-9-11(5-6-12(14)17)13(19)7-8-15(20)21/h5-6,9,16,18H,3-4,7-8,10H2,1-2H3,(H,20,21)