2-(4-methylphenyl)sulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(p-tolylsulfanyl)ethanone CAS Name: 2-[(4-methylphenyl)thio]-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylphenyl)sulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-[4-(3-nitrophenyl)sulfonylpiperazino]-2-(p-tolylthio)ethanone Formula: C19H21N3O5S2 MolecularWeight: 435.51714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S2/c1-15-5-7-17(8-6-15)28-14-19(23)20-9-11-21(12-10-20)29(26,27)18-4-2-3-16(13-18)22(24)25/h2-8,13H,9-12,14H2,1H3