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

Systemtic Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-5-benzofuranyl]-1-(4-methylsulfonyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]-1-(4-mesylpiperazino)but-2-en-1-one Formula: C24H25ClN2O5S MolecularWeight: 488.9837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)S(=O)(=O)C)C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

C/C(=C\C(=O)N1CCN(CC1)S(=O)(=O)C)/C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C24H25ClN2O5S/c1-16(12-24(28)26-8-10-27(11-9-26)33(3,29)30)19-13-20-21(17-4-6-18(25)7-5-17)15-32-23(20)14-22(19)31-2/h4-7,12-15H,8-11H2,1-3H3/b16-12+