[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)prop-2-enoate CAS Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-2-propenoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)prop-2-enoate Traditional Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)acrylic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C23H22FNO7S MolecularWeight: 475.486683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C=CC3=CC(=CC4=C3OCOC4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)/C=C/C3=CC(=CC4=C3OCOC4)F

InChI

InChI=1S/C23H22FNO7S/c24-19-11-17(23-18(12-19)13-30-15-32-23)5-8-22(27)31-14-21(26)16-3-6-20(7-4-16)33(28,29)25-9-1-2-10-25/h3-8,11-12H,1-2,9-10,13-15H2/b8-5+