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

Systemtic Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-(2-pyridyl)methanone CAS Name: [4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-(2-pyridinyl)methanone IUPAC Name: [4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-pyridin-2-ylmethanone Traditional Name: [4-(4-mesyl-2-nitro-phenyl)piperazino]-(2-pyridyl)methanone Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=N3)[N+](=O)[O-]

InChI

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