(2E)-2-[6-(1,3-benzodioxol-5-yl)hexylidene]-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-quinoline-1-carbaldehyde

Systemtic Name: (2E)-2-[6-(1,3-benzodioxol-5-yl)hexylidene]-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-quinoline-1-carbaldehyde Openeye Name: (2E)-2-[6-(1,3-benzodioxol-5-yl)hexylidene]-4-oxo-3-(p-tolylsulfonyl)quinoline-1-carbaldehyde CAS Name: (2E)-2-[6-(1,3-benzodioxol-5-yl)hexylidene]-3-(4-methylphenyl)sulfonyl-4-oxo-1-quinolinecarboxaldehyde IUPAC Name: (2E)-2-[6-(1,3-benzodioxol-5-yl)hexylidene]-3-(4-methylphenyl)sulfonyl-4-oxoquinoline-1-carbaldehyde Traditional Name: (2E)-2-[6-(1,3-benzodioxol-5-yl)hexylidene]-4-keto-3-tosyl-quinoline-1-carbaldehyde Formula: C30H29NO6S MolecularWeight: 531.61936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2C(=CCCCCCC3=CC4=C(C=C3)OCO4)N(C5=CC=CC=C5C2=O)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2/C(=C\CCCCCC3=CC4=C(C=C3)OCO4)/N(C5=CC=CC=C5C2=O)C=O

InChI

InChI=1S/C30H29NO6S/c1-21-12-15-23(16-13-21)38(34,35)30-26(31(19-32)25-10-7-6-9-24(25)29(30)33)11-5-3-2-4-8-22-14-17-27-28(18-22)37-20-36-27/h6-7,9-19,30H,2-5,8,20H2,1H3/b26-11+