1-[3-nitro-4-(phenylmethylsulfanyl)phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[3-nitro-4-(phenylmethylsulfanyl)phenyl]sulfonylpyrrolidine Openeye Name: 1-(4-benzylsulfanyl-3-nitro-phenyl)sulfonylpyrrolidine CAS Name: 1-[3-nitro-4-(phenylmethylthio)phenyl]sulfonylpyrrolidine IUPAC Name: 1-(4-benzylsulfanyl-3-nitrophenyl)sulfonylpyrrolidine Traditional Name: 1-[4-(benzylthio)-3-nitro-phenyl]sulfonylpyrrolidine Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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