1-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[3-nitro-4-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[3-nitro-4-(4-tosylpiperazino)phenyl]ethanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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