2-(4-methylphenyl)sulfonyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methylphenyl)sulfonyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(p-tolylsulfonyl)ethanone CAS Name: 2-(4-methylphenyl)sulfonyl-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylphenyl)sulfonyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-tosyl-ethanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-15-2-8-18(9-3-15)28(26,27)14-19(23)21-12-10-20(11-13-21)16-4-6-17(7-5-16)22(24)25/h2-9H,10-14H2,1H3