(3,3-dimethyl-2-oxidanylidene-butyl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H26N2O7S MolecularWeight: 426.48394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C19H26N2O7S/c1-13-5-6-15(21(24)25)11-16(13)29(26,27)20-9-7-14(8-10-20)18(23)28-12-17(22)19(2,3)4/h5-6,11,14H,7-10,12H2,1-4H3