2-(4-methyl-2-nitro-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methyl-2-nitro-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-methyl-2-nitro-phenoxy)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(4-methyl-2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(4-methyl-2-nitro-phenoxy)ethanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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