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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC2=C(C1=CC3=CC=CC=C3)C=C(C(=C2)S(=O)(=O)C(C)C)C4=CC=CC=C4O

Isomeric SMILES

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

InChI

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