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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)C4=CC=CC=C4O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)C4=CC=CC=C4O)OC

InChI

InChI=1S/C25H25NO4S/c1-17(2)31(28,29)25-15-20-19(14-24(25)30-3)16-26(21-11-7-8-12-23(21)27)22(20)13-18-9-5-4-6-10-18/h4-15,17,27H,16H2,1-3H3/b22-13+