(3Z)-2,6-diethoxy-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole

Systemtic Name: (3Z)-2,6-diethoxy-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1Z)-1-benzylidene-2,5-diethoxy-6-isopropylsulfonyl-isoindoline CAS Name: (3Z)-2,6-diethoxy-3-(phenylmethylene)-5-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3Z)-3-benzylidene-2,6-diethoxy-5-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1Z)-1-benzal-2,5-diethoxy-6-isopropylsulfonyl-isoindoline Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)OCC)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)CN(/C2=C\C3=CC=CC=C3)OCC)S(=O)(=O)C(C)C

InChI

InChI=1S/C22H27NO4S/c1-5-26-21-13-18-15-23(27-6-2)20(12-17-10-8-7-9-11-17)19(18)14-22(21)28(24,25)16(3)4/h7-14,16H,5-6,15H2,1-4H3/b20-12-