4-[[4-(quinolin-2-ylmethylsulfinyl)phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-(quinolin-2-ylmethylsulfinyl)phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-(2-quinolylmethylsulfinyl)phenoxy]methyl]benzoic acid CAS Name: 4-[[4-(2-quinolinylmethylsulfinyl)phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(quinolin-2-ylmethylsulfinyl)phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-(2-quinolylmethylsulfinyl)phenoxy]methyl]benzoic acid Formula: C24H19NO4S MolecularWeight: 417.47696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CS(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CS(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H19NO4S/c26-24(27)19-7-5-17(6-8-19)15-29-21-11-13-22(14-12-21)30(28)16-20-10-9-18-3-1-2-4-23(18)25-20/h1-14H,15-16H2,(H,26,27)