1-methylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazine

Systemtic Name: 1-methylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazine Openeye Name: 1-methylsulfonyl-4-[4-nitro-3-(2-pyridylsulfanyl)phenyl]piperazine CAS Name: 1-methylsulfonyl-4-[4-nitro-3-(2-pyridinylthio)phenyl]piperazine IUPAC Name: 1-methylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine Traditional Name: 1-mesyl-4-[4-nitro-3-(2-pyridylthio)phenyl]piperazine Formula: C16H18N4O4S2 MolecularWeight: 394.46852

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3

InChI

InChI=1S/C16H18N4O4S2/c1-26(23,24)19-10-8-18(9-11-19)13-5-6-14(20(21)22)15(12-13)25-16-4-2-3-7-17-16/h2-7,12H,8-11H2,1H3