(4-cyanophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylic acid (4-cyanobenzyl) ester Formula: C21H20N2O6S MolecularWeight: 428.4583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H20N2O6S/c22-13-15-3-5-16(6-4-15)14-29-21(24)18-2-1-9-23(18)30(25,26)17-7-8-19-20(12-17)28-11-10-27-19/h3-8,12,18H,1-2,9-11,14H2