(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(2-thienylsulfonyl)piperazino]prop-2-en-1-one Formula: C20H22N2O6S2 MolecularWeight: 450.52848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N2O6S2/c1-26-16-13-15(14-17-20(16)28-11-10-27-17)4-5-18(23)21-6-8-22(9-7-21)30(24,25)19-3-2-12-29-19/h2-5,12-14H,6-11H2,1H3/b5-4+