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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: (3-morpholinosulfonylphenyl)methyl (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H22BrNO6S MolecularWeight: 496.37148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H22BrNO6S/c1-27-20-7-6-18(22)14-17(20)5-8-21(24)29-15-16-3-2-4-19(13-16)30(25,26)23-9-11-28-12-10-23/h2-8,13-14H,9-12,15H2,1H3/b8-5+