4-fluoranyl-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 4-fluoro-3-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-fluoro-3-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-fluoro-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]benzonitrile Formula: C19H19FN4O5S MolecularWeight: 434.441363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)C#N)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)C#N)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19FN4O5S/c1-29-19-5-3-16(11-18(19)24(25)26)30(27,28)23-8-6-22(7-9-23)13-15-10-14(12-21)2-4-17(15)20/h2-5,10-11H,6-9,13H2,1H3