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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)S(=O)(=O)C(C)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)C(C)C)CC4=CC=CC=C4

InChI

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