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

Systemtic Name: (3Z)-6-ethoxy-2-(phenylmethyl)-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1Z)-2-benzyl-1-benzylidene-5-ethoxy-6-isopropylsulfonyl-isoindoline CAS Name: (3Z)-6-ethoxy-2-(phenylmethyl)-3-(phenylmethylene)-5-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3Z)-2-benzyl-3-benzylidene-6-ethoxy-5-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1Z)-1-benzal-2-benzyl-5-ethoxy-6-isopropylsulfonyl-isoindoline Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)CN(/C2=C\C3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)C(C)C

InChI

InChI=1S/C27H29NO3S/c1-4-31-26-16-23-19-28(18-22-13-9-6-10-14-22)25(15-21-11-7-5-8-12-21)24(23)17-27(26)32(29,30)20(2)3/h5-17,20H,4,18-19H2,1-3H3/b25-15-