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

Systemtic Name: (4-bromophenyl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: (4-bromophenyl)methyl (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid (4-bromobenzyl) ester Formula: C21H22BrNO6S MolecularWeight: 496.37148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO6S/c1-27-19-8-4-16(14-20(19)30(25,26)23-10-12-28-13-11-23)5-9-21(24)29-15-17-2-6-18(22)7-3-17/h2-9,14H,10-13,15H2,1H3/b9-5+