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

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

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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)OC

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)OC

InChI

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