(1E)-2-iodanyl-1-(phenylmethylidene)-6-propan-2-ylsulfonyl-3H-isoindol-5-ol

Systemtic Name: (1E)-2-iodanyl-1-(phenylmethylidene)-6-propan-2-ylsulfonyl-3H-isoindol-5-ol Openeye Name: (1E)-1-benzylidene-2-iodo-6-isopropylsulfonyl-isoindolin-5-ol CAS Name: (1E)-2-iodo-1-(phenylmethylene)-6-propan-2-ylsulfonyl-3H-isoindol-5-ol IUPAC Name: (1E)-1-benzylidene-2-iodo-6-propan-2-ylsulfonyl-3H-isoindol-5-ol Traditional Name: (1E)-1-benzal-2-iodo-6-isopropylsulfonyl-isoindolin-5-ol Formula: C18H18INO3S MolecularWeight: 455.30989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18INO3S/c1-12(2)24(22,23)18-10-15-14(9-17(18)21)11-20(19)16(15)8-13-6-4-3-5-7-13/h3-10,12,21H,11H2,1-2H3/b16-8+