[3-(dimethylsulfamoyl)phenyl]methyl (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O4S/c1-23(2)28(25,26)19-8-5-6-16(14-19)15-27-21(24)13-12-18-11-10-17-7-3-4-9-20(17)22-18/h3-14H,15H2,1-2H3/b13-12+