(2-chloranyl-4-fluoranyl-phenyl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid (2-chloro-4-fluoro-benzyl) ester Formula: C20H19ClFNO5S MolecularWeight: 439.884963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H19ClFNO5S/c21-19-13-17(22)5-4-16(19)14-28-20(24)8-3-15-1-6-18(7-2-15)29(25,26)23-9-11-27-12-10-23/h1-8,13H,9-12,14H2/b8-3+