3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3-fluoro-4-methoxy-phenyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3-fluoro-4-methoxy-phenyl)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]propan-1-one Formula: C21H24FN3O6S MolecularWeight: 465.495163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O6S/c1-31-20-7-3-15(13-17(20)22)4-8-21(26)24-11-9-23(10-12-24)18-6-5-16(32(2,29)30)14-19(18)25(27)28/h3,5-7,13-14H,4,8-12H2,1-2H3