2-(2-methylphenyl)sulfanyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-methylphenyl)sulfanyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-(o-tolylsulfanyl)ethanone CAS Name: 2-[(2-methylphenyl)thio]-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-methylphenyl)sulfanyl-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-2-(o-tolylthio)ethanone Formula: C20H23N3O5S2 MolecularWeight: 449.54372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S2/c1-15-5-3-4-6-19(15)29-14-20(24)22-11-9-21(10-12-22)17-8-7-16(30(2,27)28)13-18(17)23(25)26/h3-8,13H,9-12,14H2,1-2H3