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

Systemtic Name: phenyl (3E)-6-chloranyl-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-3-benzylidene-6-chloro-2-isopropylsulfonyl-isoindoline-5-sulfonate CAS Name: (3E)-6-chloro-3-(phenylmethylene)-2-propan-2-ylsulfonyl-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-chloro-2-propan-2-ylsulfonyl-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-6-chloro-2-isopropylsulfonyl-isoindoline-5-sulfonic acid phenyl ester Formula: C24H22ClNO5S2 MolecularWeight: 504.01818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)S(=O)(=O)N\1CC2=CC(=C(C=C2/C1=C\C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H22ClNO5S2/c1-17(2)32(27,28)26-16-19-14-22(25)24(33(29,30)31-20-11-7-4-8-12-20)15-21(19)23(26)13-18-9-5-3-6-10-18/h3-15,17H,16H2,1-2H3/b23-13+