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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SC4=CC=CC=N4

InChI

InChI=1S/C22H22N4O4S2/c1-17-5-8-19(9-6-17)32(29,30)25-14-12-24(13-15-25)18-7-10-20(26(27)28)21(16-18)31-22-4-2-3-11-23-22/h2-11,16H,12-15H2,1H3