(E)-4-oxidanylidene-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]but-2-enoate Openeye Name: (E)-4-oxo-4-[4-(pyrimidin-2-ylsulfamoyl)anilino]but-2-enoate CAS Name: (E)-4-oxo-4-[4-(2-pyrimidinylsulfamoyl)anilino]-2-butenoate IUPAC Name: (E)-4-oxo-4-[4-(pyrimidin-2-ylsulfamoyl)anilino]but-2-enoate Traditional Name: (E)-4-keto-4-[4-(2-pyrimidylsulfamoyl)anilino]but-2-enoate Formula: C14H11N4O5S- MolecularWeight: 347.32594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C14H12N4O5S/c19-12(6-7-13(20)21)17-10-2-4-11(5-3-10)24(22,23)18-14-15-8-1-9-16-14/h1-9H,(H,17,19)(H,20,21)(H,15,16,18)/p-1/b7-6+