(3,3-dimethyl-2-oxidanylidene-butyl) 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO5S/c1-18(2,3)16(20)13-24-17(21)14-9-11-19(12-10-14)25(22,23)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3