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

Systemtic Name: phenyl (3Z)-2-(phenylmethyl)-3-(phenylmethylidene)-6-propan-2-ylsulfonyl-1H-isoindole-5-sulfonate Openeye Name: phenyl (3Z)-2-benzyl-3-benzylidene-6-isopropylsulfonyl-isoindoline-5-sulfonate CAS Name: (3Z)-2-(phenylmethyl)-3-(phenylmethylene)-6-propan-2-ylsulfonyl-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3Z)-2-benzyl-3-benzylidene-6-propan-2-ylsulfonyl-1H-isoindole-5-sulfonate Traditional Name: (3Z)-3-benzal-2-benzyl-6-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)C1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C\2C(=C1)CN(/C2=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)30-19-26-22-32(21-25-14-8-4-9-15-25)29(18-24-12-6-3-7-13-24)28(26)20-31(30)39(35,36)37-27-16-10-5-11-17-27/h3-20,23H,21-22H2,1-2H3/b29-18-