(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C20H20BrFN2O3S MolecularWeight: 467.351803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C20H20BrFN2O3S/c1-15-2-6-18(7-3-15)28(26,27)24-12-10-23(11-13-24)20(25)9-4-16-14-17(21)5-8-19(16)22/h2-9,14H,10-13H2,1H3/b9-4+