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

Systemtic Name: (3E)-6-ethoxy-3-(phenylmethylidene)-2,5-bis(propan-2-ylsulfonyl)-1H-isoindole Openeye Name: (1E)-1-benzylidene-5-ethoxy-2,6-bis(isopropylsulfonyl)isoindoline CAS Name: (3E)-6-ethoxy-3-(phenylmethylene)-2,5-bis(propan-2-ylsulfonyl)-1H-isoindole IUPAC Name: (3E)-3-benzylidene-6-ethoxy-2,5-bis(propan-2-ylsulfonyl)-1H-isoindole Traditional Name: (1E)-1-benzal-5-ethoxy-2,6-bis(isopropylsulfonyl)isoindoline Formula: C23H29NO5S2 MolecularWeight: 463.61006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S2/c1-6-29-22-13-19-15-24(31(27,28)17(4)5)21(12-18-10-8-7-9-11-18)20(19)14-23(22)30(25,26)16(2)3/h7-14,16-17H,6,15H2,1-5H3/b21-12+