1-(4-fluorophenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-fluorophenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-fluorophenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-fluorophenyl)-4-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-fluorophenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(4-fluorophenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazino]butane-1,4-dione Formula: C20H20FN3O6S MolecularWeight: 449.452703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O6S/c21-16-6-4-15(5-7-16)19(25)8-9-20(26)22-10-12-23(13-11-22)31(29,30)18-3-1-2-17(14-18)24(27)28/h1-7,14H,8-13H2