4-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]benzenesulfonic acid

Systemtic Name: 4-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]benzenesulfonic acid Openeye Name: 4-[4-(2-isoindolin-2-ylethoxy)phenyl]benzenesulfonic acid CAS Name: 4-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]benzenesulfonic acid IUPAC Name: 4-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]phenyl]benzenesulfonic acid Traditional Name: 4-[4-(2-isoindolin-2-ylethoxy)phenyl]besylic acid Formula: C22H21NO4S MolecularWeight: 395.47144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN1CCOC3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1C2=CC=CC=C2CN1CCOC3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C22H21NO4S/c24-28(25,26)22-11-7-18(8-12-22)17-5-9-21(10-6-17)27-14-13-23-15-19-3-1-2-4-20(19)16-23/h1-12H,13-16H2,(H,24,25,26)