2-(2-methoxy-5-nitro-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-methoxy-5-nitro-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2-methoxy-5-nitrophenoxy)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O7S/c1-28-17-8-7-15(22(24)25)13-18(17)29-14-19(23)20-9-11-21(12-10-20)30(26,27)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3