(2-cyanophenyl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: (2-cyanophenyl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: (2-cyanophenyl)methyl (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid (2-cyanobenzyl) ester Formula: C22H22N2O6S MolecularWeight: 442.48488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC2=CC=CC=C2C#N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC2=CC=CC=C2C#N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H22N2O6S/c1-28-20-8-6-17(14-21(20)31(26,27)24-10-12-29-13-11-24)7-9-22(25)30-16-19-5-3-2-4-18(19)15-23/h2-9,14H,10-13,16H2,1H3/b9-7+