(E)-3-methylsulfonyl-4-quinolin-4-yl-but-3-en-2-one

Systemtic Name: (E)-3-methylsulfonyl-4-quinolin-4-yl-but-3-en-2-one Openeye Name: (E)-3-methylsulfonyl-4-(4-quinolyl)but-3-en-2-one CAS Name: (E)-3-methylsulfonyl-4-(4-quinolinyl)-3-buten-2-one IUPAC Name: (E)-3-methylsulfonyl-4-quinolin-4-ylbut-3-en-2-one Traditional Name: (E)-3-mesyl-4-(4-quinolyl)but-3-en-2-one Formula: C14H13NO3S MolecularWeight: 275.32292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=NC2=CC=CC=C12)S(=O)(=O)C

Isomeric SMILES

CC(=O)/C(=C\C1=CC=NC2=CC=CC=C12)/S(=O)(=O)C

InChI

InChI=1S/C14H13NO3S/c1-10(16)14(19(2,17)18)9-11-7-8-15-13-6-4-3-5-12(11)13/h3-9H,1-2H3/b14-9+