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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic 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)C1CCCCN1S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1CCCCN1S(=O)(=O)C2=CC=CC=C2

InChI

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