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

Systemtic Name: (E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-(6-ethoxy-2,3,7-trimethyl-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-(6-ethoxy-2,3,7-trimethyl-5-benzofuranyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-3-(6-ethoxy-2,3,7-trimethyl-benzofuran-5-yl)-1-(4-mesylpiperazino)but-2-en-1-one Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1C)C)C)C(=CC(=O)N3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1C)C)C)/C(=C/C(=O)N3CCN(CC3)S(=O)(=O)C)/C

InChI

InChI=1S/C22H30N2O5S/c1-7-28-21-16(4)22-19(15(3)17(5)29-22)13-18(21)14(2)12-20(25)23-8-10-24(11-9-23)30(6,26)27/h12-13H,7-11H2,1-6H3/b14-12+