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

Systemtic Name: (3E)-6-chloranyl-2-iodanyl-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1E)-1-benzylidene-5-chloro-2-iodo-6-isopropylsulfonyl-isoindoline CAS Name: (3E)-6-chloro-2-iodo-3-(phenylmethylene)-5-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3E)-3-benzylidene-6-chloro-2-iodo-5-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1E)-1-benzal-5-chloro-2-iodo-6-isopropylsulfonyl-isoindoline Formula: C18H17ClINO2S MolecularWeight: 473.75555

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClINO2S/c1-12(2)24(22,23)18-10-15-14(9-16(18)19)11-21(20)17(15)8-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3/b17-8+