(2-chloranyl-6-fluoranyl-phenyl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C21H21ClFNO6S MolecularWeight: 469.910943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC2=C(C=CC=C2Cl)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC2=C(C=CC=C2Cl)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H21ClFNO6S/c1-28-19-7-5-15(13-20(19)31(26,27)24-9-11-29-12-10-24)6-8-21(25)30-14-16-17(22)3-2-4-18(16)23/h2-8,13H,9-12,14H2,1H3/b8-6+