6,6-dimethyl-3-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-piperidine-2,4-dione

Systemtic Name: 6,6-dimethyl-3-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-piperidine-2,4-dione Openeye Name: 6,6-dimethyl-3-(4-methylsulfonyl-2-nitro-benzoyl)piperidine-2,4-dione CAS Name: 6,6-dimethyl-3-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]piperidine-2,4-dione IUPAC Name: 6,6-dimethyl-3-(4-methylsulfonyl-2-nitrobenzoyl)piperidine-2,4-dione Traditional Name: 3-(4-mesyl-2-nitro-benzoyl)-6,6-dimethyl-piperidine-2,4-quinone Formula: C15H16N2O7S MolecularWeight: 368.36174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)N1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C(C(=O)N1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H16N2O7S/c1-15(2)7-11(18)12(14(20)16-15)13(19)9-5-4-8(25(3,23)24)6-10(9)17(21)22/h4-6,12H,7H2,1-3H3,(H,16,20)