(3-cyanophenyl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: (3-cyanophenyl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: (3-cyanophenyl)methyl (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid (3-cyanobenzyl) ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H20N2O5S/c22-15-18-2-1-3-19(14-18)16-28-21(24)9-6-17-4-7-20(8-5-17)29(25,26)23-10-12-27-13-11-23/h1-9,14H,10-13,16H2/b9-6+