(E)-4-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-methyl-3-(methylsulfamoyl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-methyl-3-(methylsulfamoyl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-methyl-3-(methylsulfamoyl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[4-methyl-3-(methylsulfamoyl)anilino]but-2-enoic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C=CC(=O)O)S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)/C=C/C(=O)O)S(=O)(=O)NC

InChI

InChI=1S/C12H14N2O5S/c1-8-3-4-9(7-10(8)20(18,19)13-2)14-11(15)5-6-12(16)17/h3-7,13H,1-2H3,(H,14,15)(H,16,17)/b6-5+