(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-1-(4-methylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-coumaran-5-yl-1-(4-mesylpiperazino)prop-2-en-1-one Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C=CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C16H20N2O4S/c1-23(20,21)18-9-7-17(8-10-18)16(19)5-3-13-2-4-15-14(12-13)6-11-22-15/h2-5,12H,6-11H2,1H3/b5-3+