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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)N4CCN(CC4)S(=O)(=O)C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)/C(=C/C(=O)N4CCN(CC4)S(=O)(=O)C)/C)OC

InChI

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