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

Systemtic Name: 1-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[4-nitro-3-(2-pyridylsulfanyl)phenyl]piperazine CAS Name: 1-[4-nitro-3-(2-pyridinylthio)phenyl]-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine Traditional Name: 1-benzylsulfonyl-4-[4-nitro-3-(2-pyridylthio)phenyl]piperazine Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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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)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4S2/c27-26(28)20-10-9-19(16-21(20)31-22-8-4-5-11-23-22)24-12-14-25(15-13-24)32(29,30)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2