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

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(2-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-(2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-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=CC=C3F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)/C=C/C3=CC=CC=C3F

InChI

InChI=1S/C21H20FNO5S/c22-19-6-2-1-5-16(19)9-12-21(25)28-15-20(24)17-7-10-18(11-8-17)29(26,27)23-13-3-4-14-23/h1-2,5-12H,3-4,13-15H2/b12-9+