[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C22H22FNO7S MolecularWeight: 463.475983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C2=CC=C(C=C2)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)C2=CC=C(C=C2)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H22FNO7S/c1-29-20-8-2-16(14-21(20)32(27,28)24-10-12-30-13-11-24)3-9-22(26)31-15-19(25)17-4-6-18(23)7-5-17/h2-9,14H,10-13,15H2,1H3/b9-3+