4-[[4-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(4,6-dimethoxy-2-pyrimidinyl)sulfamoyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]anilino]-4-keto-butyric acid Formula: C16H18N4O7S MolecularWeight: 410.40172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O)OC

InChI

InChI=1S/C16H18N4O7S/c1-26-13-9-14(27-2)19-16(18-13)20-28(24,25)11-5-3-10(4-6-11)17-12(21)7-8-15(22)23/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,22,23)(H,18,19,20)