(E)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one

Systemtic Name: (E)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-(6-methoxy-7-methyl-3-phenyl-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-(6-methoxy-7-methyl-3-phenyl-5-benzofuranyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-1-(4-mesylpiperazino)-3-(6-methoxy-7-methyl-3-phenyl-benzofuran-5-yl)but-2-en-1-one Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1OC)C(=CC(=O)N3CCN(CC3)S(=O)(=O)C)C)C(=CO2)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1OC)/C(=C/C(=O)N3CCN(CC3)S(=O)(=O)C)/C)C(=CO2)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O5S/c1-17(14-23(28)26-10-12-27(13-11-26)33(4,29)30)20-15-21-22(19-8-6-5-7-9-19)16-32-25(21)18(2)24(20)31-3/h5-9,14-16H,10-13H2,1-4H3/b17-14+