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

Systemtic Name: (2-chloranylpyridin-4-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (2-chloro-4-pyridyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (2-chloro-4-pyridinyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2-chloropyridin-4-yl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (2-chloro-4-pyridyl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C17H17ClN4O5S MolecularWeight: 424.85868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O5S/c1-28(26,27)13-2-3-14(15(11-13)22(24)25)20-6-8-21(9-7-20)17(23)12-4-5-19-16(18)10-12/h2-5,10-11H,6-9H2,1H3