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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)C(C)C

Isomeric SMILES

CCON\1CC2=CC(=C(C=C2/C1=C/C3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)C(C)C

InChI

InChI=1S/C27H29NO3S/c1-4-31-28-19-24-18-27(32(29,30)20(2)3)23(15-21-11-7-5-8-12-21)17-25(24)26(28)16-22-13-9-6-10-14-22/h5-14,16-18,20H,4,15,19H2,1-3H3/b26-16-