3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-1H-pyridin-2-one

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-1H-pyridin-2-one Openeye Name: 5-nitro-3-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-5-nitro-1H-pyridin-2-one IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-1H-pyridin-2-one Traditional Name: 5-nitro-3-(4-tosylpiperazine-1-carbonyl)-2-pyridone Formula: C17H18N4O6S MolecularWeight: 406.41302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CNC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CNC3=O)[N+](=O)[O-]

InChI

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