[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C=CC(=O)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C(=O)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H21N3O5S/c23-31(28,29)19-10-5-16(6-11-19)13-14-24-21(26)15-30-22(27)12-9-18-8-7-17-3-1-2-4-20(17)25-18/h1-12H,13-15H2,(H,24,26)(H2,23,28,29)/b12-9+