(2E)-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-2-pentylidene-quinoline-1-carbaldehyde

Systemtic Name: (2E)-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-2-pentylidene-quinoline-1-carbaldehyde Openeye Name: (2E)-4-oxo-2-pentylidene-3-(p-tolylsulfonyl)quinoline-1-carbaldehyde CAS Name: (2E)-3-(4-methylphenyl)sulfonyl-4-oxo-2-pentylidene-1-quinolinecarboxaldehyde IUPAC Name: (2E)-3-(4-methylphenyl)sulfonyl-4-oxo-2-pentylidenequinoline-1-carbaldehyde Traditional Name: (2E)-4-keto-2-pentylidene-3-tosyl-quinoline-1-carbaldehyde Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=C1C(C(=O)C2=CC=CC=C2N1C=O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC/C=C/1\C(C(=O)C2=CC=CC=C2N1C=O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H23NO4S/c1-3-4-5-10-20-22(28(26,27)17-13-11-16(2)12-14-17)21(25)18-8-6-7-9-19(18)23(20)15-24/h6-15,22H,3-5H2,1-2H3/b20-10+