3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-1H-pyridin-2-one

Systemtic Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-1H-pyridin-2-one Openeye Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-1H-pyridin-2-one CAS Name: 3-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-5-nitro-1H-pyridin-2-one IUPAC Name: 3-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-1H-pyridin-2-one Traditional Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-2-pyridone Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CNC3=O)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CNC3=O)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C22H28N4O6S/c1-14-10-16(22(3,4)5)11-15(2)19(14)33(31,32)25-8-6-24(7-9-25)21(28)18-12-17(26(29)30)13-23-20(18)27/h10-13H,6-9H2,1-5H3,(H,23,27)