(3,3-dimethyl-2-oxidanylidene-butyl) 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H24N2O5S/c1-17(2,3)15(20)12-24-16(21)13-6-9-19(10-7-13)25(22,23)14-5-4-8-18-11-14/h4-5,8,11,13H,6-7,9-10,12H2,1-3H3