1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(3-nitrophenoxy)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(3-nitrophenoxy)ethanone Openeye Name: 2-(3-nitrophenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(3-nitrophenoxy)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(3-nitrophenoxy)ethanone Traditional Name: 2-(3-nitrophenoxy)-1-(4-tosylpiperazino)ethanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

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