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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CC(C)S(=O)(=O)N\1CC2=CC(=C(C=C2/C1=C\C3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

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