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

Systemtic Name: 2-[(3E)-5-(phenylmethyl)-3-(phenylmethylidene)-6-propan-2-ylsulfonyl-1H-isoindol-2-yl]phenol Openeye Name: 2-[(1E)-6-benzyl-1-benzylidene-5-isopropylsulfonyl-isoindolin-2-yl]phenol CAS Name: 2-[(3E)-5-(phenylmethyl)-3-(phenylmethylene)-6-propan-2-ylsulfonyl-1H-isoindol-2-yl]phenol IUPAC Name: 2-[(3E)-5-benzyl-3-benzylidene-6-propan-2-ylsulfonyl-1H-isoindol-2-yl]phenol Traditional Name: 2-[(1E)-1-benzal-6-benzyl-5-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=C2C(=C1)CN(C2=CC3=CC=CC=C3)C4=CC=CC=C4O)CC5=CC=CC=C5

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)C4=CC=CC=C4O)CC5=CC=CC=C5

InChI

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