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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)C4=CC=CC=C4O)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)C4=CC=CC=C4O)S(=O)(=O)C(C)C

InChI

InChI=1S/C26H27NO4S/c1-4-31-25-15-20-17-27(22-12-8-9-13-24(22)28)23(14-19-10-6-5-7-11-19)21(20)16-26(25)32(29,30)18(2)3/h5-16,18,28H,4,17H2,1-3H3/b23-14+