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

Systemtic Name: phenyl (3E)-6-methoxy-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-6-isopropylsulfonyl-5-methoxy-isoindoline-2-sulfonate CAS Name: (3E)-6-methoxy-3-(phenylmethylene)-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-methoxy-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-6-isopropylsulfonyl-5-methoxy-isoindoline-2-sulfonic acid phenyl ester Formula: C25H25NO6S2 MolecularWeight: 499.5991

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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)OC4=CC=CC=C4)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)S(=O)(=O)OC4=CC=CC=C4)OC

InChI

InChI=1S/C25H25NO6S2/c1-18(2)33(27,28)25-16-22-20(15-24(25)31-3)17-26(23(22)14-19-10-6-4-7-11-19)34(29,30)32-21-12-8-5-9-13-21/h4-16,18H,17H2,1-3H3/b23-14+