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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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