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

Systemtic Name: (E)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-(6-methoxy-3,7-dimethyl-5-benzofuranyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-1-(4-mesylpiperazino)-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)but-2-en-1-one Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C(=C(C=C12)C(=CC(=O)N3CCN(CC3)S(=O)(=O)C)C)OC)C

Isomeric SMILES

CC1=COC2=C(C(=C(C=C12)/C(=C/C(=O)N3CCN(CC3)S(=O)(=O)C)/C)OC)C

InChI

InChI=1S/C20H26N2O5S/c1-13(10-18(23)21-6-8-22(9-7-21)28(5,24)25)16-11-17-14(2)12-27-20(17)15(3)19(16)26-4/h10-12H,6-9H2,1-5H3/b13-10+