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

Systemtic Name: phenyl (3E)-6-(phenylmethyl)-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-5-benzyl-1-benzylidene-6-isopropylsulfonyl-isoindoline-2-sulfonate CAS Name: (3E)-6-(phenylmethyl)-3-(phenylmethylene)-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-6-benzyl-3-benzylidene-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5-benzyl-6-isopropylsulfonyl-isoindoline-2-sulfonic acid phenyl ester Formula: C31H29NO5S2 MolecularWeight: 559.69566

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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)CC5=CC=CC=C5

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)CC5=CC=CC=C5

InChI

InChI=1S/C31H29NO5S2/c1-23(2)38(33,34)31-21-29-27(20-26(31)18-24-12-6-3-7-13-24)22-32(30(29)19-25-14-8-4-9-15-25)39(35,36)37-28-16-10-5-11-17-28/h3-17,19-21,23H,18,22H2,1-2H3/b30-19+