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

Systemtic Name: (E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-(6-ethoxy-3-methyl-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-(6-ethoxy-3-methyl-5-benzofuranyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-3-(6-ethoxy-3-methyl-benzofuran-5-yl)-1-(4-mesylpiperazino)but-2-en-1-one Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=COC2=C1)C)C(=CC(=O)N3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CCOC1=C(C=C2C(=COC2=C1)C)/C(=C/C(=O)N3CCN(CC3)S(=O)(=O)C)/C

InChI

InChI=1S/C20H26N2O5S/c1-5-26-18-12-19-17(15(3)13-27-19)11-16(18)14(2)10-20(23)21-6-8-22(9-7-21)28(4,24)25/h10-13H,5-9H2,1-4H3/b14-10+