2-[(3E)-2-methoxy-3-(phenylmethylidene)-6-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol

Systemtic Name: 2-[(3E)-2-methoxy-3-(phenylmethylidene)-6-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol Openeye Name: 2-[(3E)-3-benzylidene-6-isopropylsulfonyl-2-methoxy-isoindolin-5-yl]phenol CAS Name: 2-[(3E)-2-methoxy-3-(phenylmethylene)-6-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol IUPAC Name: 2-[(3E)-3-benzylidene-2-methoxy-6-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol Traditional Name: 2-[(3E)-3-benzal-6-isopropylsulfonyl-2-methoxy-isoindolin-5-yl]phenol Formula: C25H25NO4S MolecularWeight: 435.5353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC2=C(C=C1C3=CC=CC=C3O)C(=CC4=CC=CC=C4)N(C2)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC2=C(C=C1C3=CC=CC=C3O)/C(=C\C4=CC=CC=C4)/N(C2)OC

InChI

InChI=1S/C25H25NO4S/c1-17(2)31(28,29)25-14-19-16-26(30-3)23(13-18-9-5-4-6-10-18)21(19)15-22(25)20-11-7-8-12-24(20)27/h4-15,17,27H,16H2,1-3H3/b23-13+