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

Systemtic Name: 2-[(3E)-6-ethoxy-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol Openeye Name: 2-[(3E)-3-benzylidene-6-ethoxy-2-isopropylsulfonyl-isoindolin-5-yl]phenol CAS Name: 2-[(3E)-6-ethoxy-3-(phenylmethylene)-2-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol IUPAC Name: 2-[(3E)-3-benzylidene-6-ethoxy-2-propan-2-ylsulfonyl-1H-isoindol-5-yl]phenol Traditional Name: 2-[(3E)-3-benzal-6-ethoxy-2-isopropylsulfonyl-isoindolin-5-yl]phenol Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C3=CC=CC=C3O)C(=CC4=CC=CC=C4)N(C2)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1C3=CC=CC=C3O)/C(=C\C4=CC=CC=C4)/N(C2)S(=O)(=O)C(C)C

InChI

InChI=1S/C26H27NO4S/c1-4-31-26-15-20-17-27(32(29,30)18(2)3)24(14-19-10-6-5-7-11-19)22(20)16-23(26)21-12-8-9-13-25(21)28/h5-16,18,28H,4,17H2,1-3H3/b24-14+