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

Systemtic Name: 1-[4-[(4-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-[(4-fluorophenyl)methylsulfanyl]-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[(4-fluorophenyl)methylthio]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-[(4-fluorophenyl)methylsulfanyl]-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-[(4-fluorobenzyl)thio]-3-nitro-phenyl]sulfonylpyrrolidine Formula: C17H17FN2O4S2 MolecularWeight: 396.456283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN2O4S2/c18-14-5-3-13(4-6-14)12-25-17-8-7-15(11-16(17)20(21)22)26(23,24)19-9-1-2-10-19/h3-8,11H,1-2,9-10,12H2