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

Systemtic Name: 2-[(3E)-6-(phenylmethyl)-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindol-2-yl]phenol Openeye Name: 2-[(1E)-5-benzyl-1-benzylidene-6-isopropylsulfonyl-isoindolin-2-yl]phenol CAS Name: 2-[(3E)-6-(phenylmethyl)-3-(phenylmethylene)-5-propan-2-ylsulfonyl-1H-isoindol-2-yl]phenol IUPAC Name: 2-[(3E)-6-benzyl-3-benzylidene-5-propan-2-ylsulfonyl-1H-isoindol-2-yl]phenol Traditional Name: 2-[(1E)-1-benzal-5-benzyl-6-isopropylsulfonyl-isoindolin-2-yl]phenol Formula: C31H29NO3S MolecularWeight: 495.63186

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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)CC5=CC=CC=C5

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)C4=CC=CC=C4O)CC5=CC=CC=C5

InChI

InChI=1S/C31H29NO3S/c1-22(2)36(34,35)31-20-27-26(19-25(31)17-23-11-5-3-6-12-23)21-32(28-15-9-10-16-30(28)33)29(27)18-24-13-7-4-8-14-24/h3-16,18-20,22,33H,17,21H2,1-2H3/b29-18+