(E)-3-(3-fluoranyl-4-methoxy-phenyl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-1-(4-mesylpiperazino)prop-2-en-1-one Formula: C15H19FN2O4S MolecularWeight: 342.385763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C)F

InChI

InChI=1S/C15H19FN2O4S/c1-22-14-5-3-12(11-13(14)16)4-6-15(19)17-7-9-18(10-8-17)23(2,20)21/h3-6,11H,7-10H2,1-2H3/b6-4+