1-[3-nitro-4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)phenyl]ethanone Openeye Name: 1-[3-nitro-4-[4-(3-pyridylsulfonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-(3-pyridinylsulfonyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)phenyl]ethanone Traditional Name: 1-[3-nitro-4-[4-(3-pyridylsulfonyl)piperazino]phenyl]ethanone Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5S/c1-13(22)14-4-5-16(17(11-14)21(23)24)19-7-9-20(10-8-19)27(25,26)15-3-2-6-18-12-15/h2-6,11-12H,7-10H2,1H3