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

Systemtic Name: 1-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[4-nitro-3-(2-pyridylsulfanyl)phenyl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[4-nitro-3-(2-pyridinylthio)phenyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine Traditional Name: 1-besyl-4-[4-nitro-3-(2-pyridylthio)phenyl]piperazine Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4S2/c26-25(27)19-10-9-17(16-20(19)30-21-8-4-5-11-22-21)23-12-14-24(15-13-23)31(28,29)18-6-2-1-3-7-18/h1-11,16H,12-15H2