1-[5-nitro-2-(phenylmethylsulfanyl)phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[5-nitro-2-(phenylmethylsulfanyl)phenyl]sulfonylpyrrolidine Openeye Name: 1-(2-benzylsulfanyl-5-nitro-phenyl)sulfonylpyrrolidine CAS Name: 1-[5-nitro-2-(phenylmethylthio)phenyl]sulfonylpyrrolidine IUPAC Name: 1-(2-benzylsulfanyl-5-nitrophenyl)sulfonylpyrrolidine Traditional Name: 1-[2-(benzylthio)-5-nitro-phenyl]sulfonylpyrrolidine Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S2/c20-19(21)15-8-9-16(24-13-14-6-2-1-3-7-14)17(12-15)25(22,23)18-10-4-5-11-18/h1-3,6-9,12H,4-5,10-11,13H2