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

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid (4-bromo-2-fluoro-benzyl) ester Formula: C20H19BrFNO5S MolecularWeight: 484.335963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrFNO5S/c21-17-5-4-16(19(22)13-17)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+