(3E)-2-ethoxy-6-(phenylmethyl)-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole

Systemtic Name: (3E)-2-ethoxy-6-(phenylmethyl)-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1E)-5-benzyl-1-benzylidene-2-ethoxy-6-isopropylsulfonyl-isoindoline CAS Name: (3E)-2-ethoxy-6-(phenylmethyl)-3-(phenylmethylene)-5-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3E)-6-benzyl-3-benzylidene-2-ethoxy-5-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1E)-1-benzal-5-benzyl-2-ethoxy-6-isopropylsulfonyl-isoindoline Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)S(=O)(=O)C(C)C)CC4=CC=CC=C4

Isomeric SMILES

CCON\1CC2=CC(=C(C=C2/C1=C\C3=CC=CC=C3)S(=O)(=O)C(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H29NO3S/c1-4-31-28-19-24-17-23(15-21-11-7-5-8-12-21)27(32(29,30)20(2)3)18-25(24)26(28)16-22-13-9-6-10-14-22/h5-14,16-18,20H,4,15,19H2,1-3H3/b26-16+