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

Systemtic Name: (E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-(6-ethoxy-3-phenyl-5-benzofuranyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)-1-(4-mesylpiperazino)but-2-en-1-one Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)C(=CC(=O)N4CCN(CC4)S(=O)(=O)C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)/C(=C/C(=O)N4CCN(CC4)S(=O)(=O)C)/C

InChI

InChI=1S/C25H28N2O5S/c1-4-31-23-16-24-21(22(17-32-24)19-8-6-5-7-9-19)15-20(23)18(2)14-25(28)26-10-12-27(13-11-26)33(3,29)30/h5-9,14-17H,4,10-13H2,1-3H3/b18-14+