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

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C20H20FN3O6S MolecularWeight: 449.452703

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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=CC=C3[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])F

InChI

InChI=1S/C20H20FN3O6S/c1-30-18-8-6-15(14-16(18)21)7-9-20(25)22-10-12-23(13-11-22)31(28,29)19-5-3-2-4-17(19)24(26)27/h2-9,14H,10-13H2,1H3/b9-7+