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

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-phenylprop-2-enoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c23-20(16-27-21(24)13-8-17-6-2-1-3-7-17)18-9-11-19(12-10-18)28(25,26)22-14-4-5-15-22/h1-3,6-13H,4-5,14-16H2/b13-8+