(E)-2-methyl-4-oxidanylidene-4-[2-(4-sulfamoylphenyl)ethylamino]but-2-enoic acid

Systemtic Name: (E)-2-methyl-4-oxidanylidene-4-[2-(4-sulfamoylphenyl)ethylamino]but-2-enoic acid Openeye Name: (E)-2-methyl-4-oxo-4-[2-(4-sulfamoylphenyl)ethylamino]but-2-enoic acid CAS Name: (E)-2-methyl-4-oxo-4-[2-(4-sulfamoylphenyl)ethylamino]-2-butenoic acid IUPAC Name: (E)-2-methyl-4-oxo-4-[2-(4-sulfamoylphenyl)ethylamino]but-2-enoic acid Traditional Name: (E)-4-keto-2-methyl-4-[2-(4-sulfamoylphenyl)ethylamino]but-2-enoic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C/C(=C\C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)/C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-9(13(17)18)8-12(16)15-7-6-10-2-4-11(5-3-10)21(14,19)20/h2-5,8H,6-7H2,1H3,(H,15,16)(H,17,18)(H2,14,19,20)/b9-8+