3-(2-fluorophenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(2-fluorophenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(2-fluorophenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(2-fluorophenyl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-fluorophenyl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(2-fluorophenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]propan-1-one Formula: C20H22FN3O6S MolecularWeight: 451.468583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O6S/c1-30-19-8-7-16(14-18(19)24(26)27)31(28,29)23-12-10-22(11-13-23)20(25)9-6-15-4-2-3-5-17(15)21/h2-5,7-8,14H,6,9-13H2,1H3