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

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(5-bromo-2-fluoro-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-3-(5-bromo-2-fluorophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(5-bromo-2-fluorophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-acetylphenyl)sulfonylpiperazino]-3-(5-bromo-2-fluoro-phenyl)prop-2-en-1-one Formula: C21H20BrFN2O4S MolecularWeight: 495.361903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrFN2O4S/c1-15(26)16-2-6-19(7-3-16)30(28,29)25-12-10-24(11-13-25)21(27)9-4-17-14-18(22)5-8-20(17)23/h2-9,14H,10-13H2,1H3/b9-4+