[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H18N2O5S/c1-29(26,27)18-10-3-2-9-17(18)23-19(24)14-28-20(25)12-11-16-7-4-6-15-8-5-13-22-21(15)16/h2-13H,14H2,1H3,(H,23,24)/b12-11+