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

Systemtic Name: (E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-(6-ethoxy-2,3-dimethyl-5-benzofuranyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)-1-(4-mesylpiperazino)but-2-en-1-one Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1)C)C)C(=CC(=O)N3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1)C)C)/C(=C/C(=O)N3CCN(CC3)S(=O)(=O)C)/C

InChI

InChI=1S/C21H28N2O5S/c1-6-27-19-13-20-18(15(3)16(4)28-20)12-17(19)14(2)11-21(24)22-7-9-23(10-8-22)29(5,25)26/h11-13H,6-10H2,1-5H3/b14-11+