1-[[4-(phenylsulfonyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[4-(phenylsulfonyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[4-(benzenesulfonyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(benzenesulfonyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[4-(benzenesulfonyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-besylbenzyl)proline Formula: C18H19NO4S MolecularWeight: 345.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)CC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H19NO4S/c20-18(21)17-7-4-12-19(17)13-14-8-10-16(11-9-14)24(22,23)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,21)