phenyl (3Z)-2,6-diethoxy-3-(phenylmethylidene)-1H-isoindole-5-sulfonate

Systemtic Name: phenyl (3Z)-2,6-diethoxy-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3Z)-3-benzylidene-2,6-diethoxy-isoindoline-5-sulfonate CAS Name: (3Z)-2,6-diethoxy-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3Z)-3-benzylidene-2,6-diethoxy-1H-isoindole-5-sulfonate Traditional Name: (3Z)-3-benzal-2,6-diethoxy-isoindoline-5-sulfonic acid phenyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)OCC)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)CN(/C2=C\C3=CC=CC=C3)OCC)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H25NO5S/c1-3-29-24-16-20-18-26(30-4-2)23(15-19-11-7-5-8-12-19)22(20)17-25(24)32(27,28)31-21-13-9-6-10-14-21/h5-17H,3-4,18H2,1-2H3/b23-15-