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

Systemtic Name: 2-[(3E)-2-(2-hydroxyphenyl)-3-(phenylmethylidene)-6-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol Openeye Name: 2-[(3E)-3-benzylidene-2-(2-hydroxyphenyl)-6-isopropylsulfonyl-isoindolin-5-yl]phenol CAS Name: 2-[(3E)-2-(2-hydroxyphenyl)-3-(phenylmethylene)-6-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol IUPAC Name: 2-[(3E)-3-benzylidene-2-(2-hydroxyphenyl)-6-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol Traditional Name: 2-[(3E)-3-benzal-2-(2-hydroxyphenyl)-6-isopropylsulfonyl-isoindolin-5-yl]phenol Formula: C30H27NO4S MolecularWeight: 497.60468

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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)C5=CC=CC=C5O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC2=C(C=C1C3=CC=CC=C3O)/C(=C\C4=CC=CC=C4)/N(C2)C5=CC=CC=C5O

InChI

InChI=1S/C30H27NO4S/c1-20(2)36(34,35)30-17-22-19-31(26-13-7-9-15-29(26)33)27(16-21-10-4-3-5-11-21)24(22)18-25(30)23-12-6-8-14-28(23)32/h3-18,20,32-33H,19H2,1-2H3/b27-16+