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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 2-[(4-nitrophenyl)thio]-1-(4-tosylpiperazino)ethanone Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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