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

Systemtic Name: 4-[4-chloranyl-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-chloro-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-chloro-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-chloro-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-chloro-3-[(2,4-dimethoxybenzyl)sulfamoyl]phenyl]-4-keto-butyric acid Formula: C19H20ClNO7S MolecularWeight: 441.8826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)CCC(=O)O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)CCC(=O)O)Cl)OC

InChI

InChI=1S/C19H20ClNO7S/c1-27-14-5-3-13(17(10-14)28-2)11-21-29(25,26)18-9-12(4-6-15(18)20)16(22)7-8-19(23)24/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,23,24)