(E)-3-(5-methylfuran-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-methylfuran-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-methyl-2-furyl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(5-methyl-2-furanyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(5-methylfuran-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-mesylpiperazino)-3-(5-methyl-2-furyl)prop-2-en-1-one Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H18N2O4S/c1-11-3-4-12(19-11)5-6-13(16)14-7-9-15(10-8-14)20(2,17)18/h3-6H,7-10H2,1-2H3/b6-5+