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

Systemtic Name: (3E)-5-methoxy-3-(phenylmethylidene)-2,6-bis(propan-2-ylsulfonyl)-1H-isoindole Openeye Name: (1E)-1-benzylidene-2,5-bis(isopropylsulfonyl)-6-methoxy-isoindoline CAS Name: (3E)-5-methoxy-3-(phenylmethylene)-2,6-bis(propan-2-ylsulfonyl)-1H-isoindole IUPAC Name: (3E)-3-benzylidene-5-methoxy-2,6-bis(propan-2-ylsulfonyl)-1H-isoindole Traditional Name: (1E)-1-benzal-2,5-bis(isopropylsulfonyl)-6-methoxy-isoindoline Formula: C22H27NO5S2 MolecularWeight: 449.58348

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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)OC

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)OC

InChI

InChI=1S/C22H27NO5S2/c1-15(2)29(24,25)22-12-18-14-23(30(26,27)16(3)4)20(19(18)13-21(22)28-5)11-17-9-7-6-8-10-17/h6-13,15-16H,14H2,1-5H3/b20-11+