(4-methylsulfonylphenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (4-methylsulfonylphenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (4-methylsulfonylphenyl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: (4-methylsulfonylphenyl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (4-methylsulfonylphenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (4-mesylphenyl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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