1-[3-(furan-2-ylmethylsulfanyl)-4-nitro-phenyl]-4-methylsulfonyl-piperazine

Systemtic Name: 1-[3-(furan-2-ylmethylsulfanyl)-4-nitro-phenyl]-4-methylsulfonyl-piperazine Openeye Name: 1-[3-(2-furylmethylsulfanyl)-4-nitro-phenyl]-4-methylsulfonyl-piperazine CAS Name: 1-[3-(2-furanylmethylthio)-4-nitrophenyl]-4-methylsulfonylpiperazine IUPAC Name: 1-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]-4-methylsulfonylpiperazine Traditional Name: 1-[3-(2-furfurylthio)-4-nitro-phenyl]-4-mesyl-piperazine Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3

InChI

InChI=1S/C16H19N3O5S2/c1-26(22,23)18-8-6-17(7-9-18)13-4-5-15(19(20)21)16(11-13)25-12-14-3-2-10-24-14/h2-5,10-11H,6-9,12H2,1H3