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

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

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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)CC5=CC=CC=C5

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC2=C(C=C1C3=CC=CC=C3O)/C(=C\C4=CC=CC=C4)/N(C2)CC5=CC=CC=C5

InChI

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