2-fluoranyl-6-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(4-mesyl-2-nitro-phenyl)piperazino]benzonitrile Formula: C18H17FN4O4S MolecularWeight: 404.415383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN4O4S/c1-28(26,27)13-5-6-17(18(11-13)23(24)25)22-9-7-21(8-10-22)16-4-2-3-15(19)14(16)12-20/h2-6,11H,7-10H2,1H3