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

Systemtic Name: (3E)-2-iodanyl-6-(phenylmethyl)-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1E)-5-benzyl-1-benzylidene-2-iodo-6-isopropylsulfonyl-isoindoline CAS Name: (3E)-2-iodo-6-(phenylmethyl)-3-(phenylmethylene)-5-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3E)-6-benzyl-3-benzylidene-2-iodo-5-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1E)-1-benzal-5-benzyl-2-iodo-6-isopropylsulfonyl-isoindoline Formula: C25H24INO2S MolecularWeight: 529.43303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)I)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)I)CC4=CC=CC=C4

InChI

InChI=1S/C25H24INO2S/c1-18(2)30(28,29)25-16-23-22(15-21(25)13-19-9-5-3-6-10-19)17-27(26)24(23)14-20-11-7-4-8-12-20/h3-12,14-16,18H,13,17H2,1-2H3/b24-14+