3-phenylpropyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate Traditional Name: 4-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C25H28N4O7S MolecularWeight: 528.57742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H28N4O7S/c1-34-23-17-21(27-25(28-23)35-2)29-37(32,33)20-12-10-19(11-13-20)26-22(30)14-15-24(31)36-16-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,17H,6,9,14-16H2,1-2H3,(H,26,30)(H,27,28,29)