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

Systemtic Name: 1-[4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(4-mesyl-2-nitro-phenyl)piperazino]phenyl]ethanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-14(23)15-3-5-16(6-4-15)20-9-11-21(12-10-20)18-8-7-17(28(2,26)27)13-19(18)22(24)25/h3-8,13H,9-12H2,1-2H3