2-[[(E)-4-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)-4-oxidanylidene-but-2-en-2-yl]amino]benzenesulfonate

Systemtic Name: 2-[[(E)-4-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)-4-oxidanylidene-but-2-en-2-yl]amino]benzenesulfonate Openeye Name: 2-[[(E)-3-(2-hydroxy-1-methyl-4-oxo-3-quinolyl)-1-methyl-3-oxo-prop-1-enyl]amino]benzenesulfonate CAS Name: 2-[[(E)-4-(2-hydroxy-1-methyl-4-oxo-3-quinolinyl)-4-oxobut-2-en-2-yl]amino]benzenesulfonate IUPAC Name: 2-[[(E)-4-(2-hydroxy-1-methyl-4-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]benzenesulfonate Traditional Name: 2-[[(E)-3-(2-hydroxy-4-keto-1-methyl-3-quinolyl)-3-keto-1-methyl-prop-1-enyl]amino]besylate Formula: C20H17N2O6S- MolecularWeight: 413.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=C(N(C2=CC=CC=C2C1=O)C)O)NC3=CC=CC=C3S(=O)(=O)[O-]

Isomeric SMILES

C/C(=C\C(=O)C1=C(N(C2=CC=CC=C2C1=O)C)O)/NC3=CC=CC=C3S(=O)(=O)[O-]

InChI

InChI=1S/C20H18N2O6S/c1-12(21-14-8-4-6-10-17(14)29(26,27)28)11-16(23)18-19(24)13-7-3-5-9-15(13)22(2)20(18)25/h3-11,21,25H,1-2H3,(H,26,27,28)/p-1/b12-11+