4-phenylmethoxy-1-[4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenyl]sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-phenylmethoxy-1-[4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenyl]sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]phenyl]sulfonyl-4-benzyloxy-pyrrolidine-2-carboxylic acid CAS Name: 4-phenylmethoxy-1-[4-[4-[2-(phenylmethyl)-3-benzofuranyl]phenyl]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]phenyl]sulfonyl-4-phenylmethoxypyrrolidine-2-carboxylic acid Traditional Name: 4-benzoxy-1-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]phenyl]sulfonyl-proline Formula: C39H33NO6S MolecularWeight: 643.74742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)CC6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

C1C(CN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)CC6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C39H33NO6S/c41-39(42)35-24-32(45-26-28-11-5-2-6-12-28)25-40(35)47(43,44)33-21-19-30(20-22-33)29-15-17-31(18-16-29)38-34-13-7-8-14-36(34)46-37(38)23-27-9-3-1-4-10-27/h1-22,32,35H,23-26H2,(H,41,42)