3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-1H-pyridin-2-one

Systemtic Name: 3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-1H-pyridin-2-one Openeye Name: 3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]-1H-pyridin-2-one CAS Name: 3-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-1H-pyridin-2-one IUPAC Name: 3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one Traditional Name: 3-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]-2-pyridone Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CNC3=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6S/c1-28(26,27)12-4-5-14(15(11-12)21(24)25)19-7-9-20(10-8-19)17(23)13-3-2-6-18-16(13)22/h2-6,11H,7-10H2,1H3,(H,18,22)