2-[(3E)-6-ethoxy-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindol-5-yl]phenol

Systemtic Name: 2-[(3E)-6-ethoxy-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindol-5-yl]phenol Openeye Name: 2-[(3E)-2-(benzenesulfonyl)-3-benzylidene-6-ethoxy-isoindolin-5-yl]phenol CAS Name: 2-[(3E)-2-(benzenesulfonyl)-6-ethoxy-3-(phenylmethylene)-1H-isoindol-5-yl]phenol IUPAC Name: 2-[(3E)-2-(benzenesulfonyl)-3-benzylidene-6-ethoxy-1H-isoindol-5-yl]phenol Traditional Name: 2-[(3E)-3-benzal-2-besyl-6-ethoxy-isoindolin-5-yl]phenol Formula: C29H25NO4S MolecularWeight: 483.5781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C3=CC=CC=C3O)C(=CC4=CC=CC=C4)N(C2)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1C3=CC=CC=C3O)/C(=C\C4=CC=CC=C4)/N(C2)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H25NO4S/c1-2-34-29-18-22-20-30(35(32,33)23-13-7-4-8-14-23)27(17-21-11-5-3-6-12-21)25(22)19-26(29)24-15-9-10-16-28(24)31/h3-19,31H,2,20H2,1H3/b27-17+