(phenylmethyl) 4-methylsulfonyloxy-2-[(E)-2-pyridin-4-ylethenyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-methylsulfonyloxy-2-[(E)-2-pyridin-4-ylethenyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 4-methylsulfonyloxy-2-[(E)-2-(4-pyridyl)vinyl]pyrrolidine-1-carboxylate CAS Name: 4-methylsulfonyloxy-2-[(E)-2-pyridin-4-ylethenyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methylsulfonyloxy-2-[(E)-2-pyridin-4-ylethenyl]pyrrolidine-1-carboxylate Traditional Name: 4-methylsulfonyloxy-2-[(E)-2-(4-pyridyl)vinyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=CC=C2)C=CC3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=CC=C2)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C20H22N2O5S/c1-28(24,25)27-19-13-18(8-7-16-9-11-21-12-10-16)22(14-19)20(23)26-15-17-5-3-2-4-6-17/h2-12,18-19H,13-15H2,1H3/b8-7+