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

Systemtic Name: (3E)-6-iodanyl-3-(phenylmethylidene)-2,5-bis(propan-2-ylsulfonyl)-1H-isoindole Openeye Name: (1E)-1-benzylidene-5-iodo-2,6-bis(isopropylsulfonyl)isoindoline CAS Name: (3E)-6-iodo-3-(phenylmethylene)-2,5-bis(propan-2-ylsulfonyl)-1H-isoindole IUPAC Name: (3E)-3-benzylidene-6-iodo-2,5-bis(propan-2-ylsulfonyl)-1H-isoindole Traditional Name: (1E)-1-benzal-5-iodo-2,6-bis(isopropylsulfonyl)isoindoline Formula: C21H24INO4S2 MolecularWeight: 545.45403

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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)S(=O)(=O)C(C)C)I

Isomeric SMILES

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

InChI

InChI=1S/C21H24INO4S2/c1-14(2)28(24,25)21-12-18-17(11-19(21)22)13-23(29(26,27)15(3)4)20(18)10-16-8-6-5-7-9-16/h5-12,14-15H,13H2,1-4H3/b20-10+