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

Systemtic Name: 2-[(3E)-3-(phenylmethylidene)-2-(phenylsulfonyl)-6-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol Openeye Name: 2-[(3E)-2-(benzenesulfonyl)-3-benzylidene-6-isopropylsulfonyl-isoindolin-5-yl]phenol CAS Name: 2-[(3E)-2-(benzenesulfonyl)-3-(phenylmethylene)-6-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol IUPAC Name: 2-[(3E)-2-(benzenesulfonyl)-3-benzylidene-6-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol Traditional Name: 2-[(3E)-3-benzal-2-besyl-6-isopropylsulfonyl-isoindolin-5-yl]phenol Formula: C30H27NO5S2 MolecularWeight: 545.66908

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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)S(=O)(=O)C5=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)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H27NO5S2/c1-21(2)37(33,34)30-18-23-20-31(38(35,36)24-13-7-4-8-14-24)28(17-22-11-5-3-6-12-22)26(23)19-27(30)25-15-9-10-16-29(25)32/h3-19,21,32H,20H2,1-2H3/b28-17+