[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(4-fluorophenyl)-2-propenoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-fluorophenyl)acrylic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C21H20FNO5S MolecularWeight: 417.450603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO5S/c22-18-8-3-16(4-9-18)5-12-21(25)28-15-20(24)17-6-10-19(11-7-17)29(26,27)23-13-1-2-14-23/h3-12H,1-2,13-15H2/b12-5+