(3E)-5-(phenylmethyl)-3-(phenylmethylidene)-2,6-bis(propan-2-ylsulfonyl)-1H-isoindole

Systemtic Name: (3E)-5-(phenylmethyl)-3-(phenylmethylidene)-2,6-bis(propan-2-ylsulfonyl)-1H-isoindole Openeye Name: (1E)-6-benzyl-1-benzylidene-2,5-bis(isopropylsulfonyl)isoindoline CAS Name: (3E)-5-(phenylmethyl)-3-(phenylmethylene)-2,6-bis(propan-2-ylsulfonyl)-1H-isoindole IUPAC Name: (3E)-5-benzyl-3-benzylidene-2,6-bis(propan-2-ylsulfonyl)-1H-isoindole Traditional Name: (1E)-1-benzal-6-benzyl-2,5-bis(isopropylsulfonyl)isoindoline Formula: C28H31NO4S2 MolecularWeight: 509.68004

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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)S(=O)(=O)C(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)C(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C28H31NO4S2/c1-20(2)34(30,31)28-18-25-19-29(35(32,33)21(3)4)27(16-23-13-9-6-10-14-23)26(25)17-24(28)15-22-11-7-5-8-12-22/h5-14,16-18,20-21H,15,19H2,1-4H3/b27-16+