2-(3-methylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3-methylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3-methylphenoxy)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-methylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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