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

Systemtic Name: 2-[(3E)-6-methoxy-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol Openeye Name: 2-[(3E)-3-benzylidene-2-isopropylsulfonyl-6-methoxy-isoindolin-5-yl]phenol CAS Name: 2-[(3E)-6-methoxy-3-(phenylmethylene)-2-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol IUPAC Name: 2-[(3E)-3-benzylidene-6-methoxy-2-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol Traditional Name: 2-[(3E)-3-benzal-2-isopropylsulfonyl-6-methoxy-isoindolin-5-yl]phenol Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CC2=C(C1=CC3=CC=CC=C3)C=C(C(=C2)OC)C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)N\1CC2=C(/C1=C\C3=CC=CC=C3)C=C(C(=C2)OC)C4=CC=CC=C4O

InChI

InChI=1S/C25H25NO4S/c1-17(2)31(28,29)26-16-19-14-25(30-3)22(20-11-7-8-12-24(20)27)15-21(19)23(26)13-18-9-5-4-6-10-18/h4-15,17,27H,16H2,1-3H3/b23-13+