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

Systemtic Name: (E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-(6-methoxy-3-phenyl-5-benzofuranyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-(6-methoxy-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-3-phenyl-benzofuran-5-yl)but-2-en-1-one Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)S(=O)(=O)C)C2=C(C=C3C(=C2)C(=CO3)C4=CC=CC=C4)OC

Isomeric SMILES

C/C(=C\C(=O)N1CCN(CC1)S(=O)(=O)C)/C2=C(C=C3C(=C2)C(=CO3)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H26N2O5S/c1-17(13-24(27)25-9-11-26(12-10-25)32(3,28)29)19-14-20-21(18-7-5-4-6-8-18)16-31-23(20)15-22(19)30-2/h4-8,13-16H,9-12H2,1-3H3/b17-13+