(E)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-3-(3-fluoro-4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-brosylpiperazino)-3-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one Formula: C20H20BrFN2O4S MolecularWeight: 483.351203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C20H20BrFN2O4S/c1-28-19-8-2-15(14-18(19)22)3-9-20(25)23-10-12-24(13-11-23)29(26,27)17-6-4-16(21)5-7-17/h2-9,14H,10-13H2,1H3/b9-3+