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

Systemtic Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-2-phenoxy-ethanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-29(26,27)16-7-8-17(18(13-16)22(24)25)20-9-11-21(12-10-20)19(23)14-28-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3