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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=C(C=CC(=C2)Br)F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=C(C=CC(=C2)Br)F)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H20BrFN2O3S/c21-18-7-8-19(22)17(14-18)6-9-20(25)23-10-12-24(13-11-23)28(26,27)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/b9-6+