1-[4-[(4-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]sulfonylpiperidine

Systemtic Name: 1-[4-[(4-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-[(4-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[(4-fluorophenyl)methylthio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-[(4-fluorophenyl)methylsulfanyl]-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[(4-fluorobenzyl)thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C18H19FN2O4S2 MolecularWeight: 410.482863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H19FN2O4S2/c19-15-6-4-14(5-7-15)13-26-18-9-8-16(12-17(18)21(22)23)27(24,25)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11,13H2