dimethyl 2-[3-oxidanylidene-1-phenyl-3-(4-sulfamoylphenyl)propyl]propanedioate

Systemtic Name: dimethyl 2-[3-oxidanylidene-1-phenyl-3-(4-sulfamoylphenyl)propyl]propanedioate Openeye Name: dimethyl 2-[3-oxo-1-phenyl-3-(4-sulfamoylphenyl)propyl]propanedioate CAS Name: 2-[3-oxo-1-phenyl-3-(4-sulfamoylphenyl)propyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-oxo-1-phenyl-3-(4-sulfamoylphenyl)propyl]propanedioate Traditional Name: 2-[3-keto-1-phenyl-3-(4-sulfamoylphenyl)propyl]malonic acid dimethyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(CC(=O)C1=CC=C(C=C1)S(=O)(=O)N)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(C(CC(=O)C1=CC=C(C=C1)S(=O)(=O)N)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H21NO7S/c1-27-19(23)18(20(24)28-2)16(13-6-4-3-5-7-13)12-17(22)14-8-10-15(11-9-14)29(21,25)26/h3-11,16,18H,12H2,1-2H3,(H2,21,25,26)