[2-oxidanylidene-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)COC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C22H21N3O5S/c1-15(16-7-10-19(11-8-16)31(23,28)29)25-20(26)14-30-21(27)12-9-18-5-2-4-17-6-3-13-24-22(17)18/h2-13,15H,14H2,1H3,(H,25,26)(H2,23,28,29)/b12-9+