(3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: (3-morpholinosulfonylphenyl)methyl (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H19BrFNO5S MolecularWeight: 484.335963

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrFNO5S/c21-17-5-6-19(22)16(13-17)4-7-20(24)28-14-15-2-1-3-18(12-15)29(25,26)23-8-10-27-11-9-23/h1-7,12-13H,8-11,14H2/b7-4+