(E)-3-(6-methoxy-3-methyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one

Systemtic Name: (E)-3-(6-methoxy-3-methyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-(6-methoxy-3-methyl-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-(6-methoxy-3-methyl-5-benzofuranyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-(6-methoxy-3-methyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-1-(4-mesylpiperazino)-3-(6-methoxy-3-methyl-benzofuran-5-yl)but-2-en-1-one Formula: C19H24N2O5S MolecularWeight: 392.46926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC(=C(C=C12)C(=CC(=O)N3CCN(CC3)S(=O)(=O)C)C)OC

Isomeric SMILES

CC1=COC2=CC(=C(C=C12)/C(=C/C(=O)N3CCN(CC3)S(=O)(=O)C)/C)OC

InChI

InChI=1S/C19H24N2O5S/c1-13(9-19(22)20-5-7-21(8-6-20)27(4,23)24)15-10-16-14(2)12-26-18(16)11-17(15)25-3/h9-12H,5-8H2,1-4H3/b13-9+