5-[(4-benzamido-2,5-diethoxy-phenyl)sulfamoyl]-6-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 5-[(4-benzamido-2,5-diethoxy-phenyl)sulfamoyl]-6-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 5-[(4-benzamido-2,5-diethoxy-phenyl)sulfamoyl]-6-oxo-1H-pyrimidin-2-olate CAS Name: 5-[(4-benzamido-2,5-diethoxyphenyl)sulfamoyl]-6-oxo-1H-pyrimidin-2-olate IUPAC Name: 5-[(4-benzamido-2,5-diethoxyphenyl)sulfamoyl]-6-oxo-1H-pyrimidin-2-olate Traditional Name: 5-[(4-benzamido-2,5-diethoxy-phenyl)sulfamoyl]-6-keto-1H-pyrimidin-2-olate Formula: C21H21N4O7S- MolecularWeight: 473.47904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NS(=O)(=O)C3=CN=C(NC3=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NS(=O)(=O)C3=CN=C(NC3=O)[O-]

InChI

InChI=1S/C21H22N4O7S/c1-3-31-16-11-15(25-33(29,30)18-12-22-21(28)24-20(18)27)17(32-4-2)10-14(16)23-19(26)13-8-6-5-7-9-13/h5-12,25H,3-4H2,1-2H3,(H,23,26)(H2,22,24,27,28)/p-1