(3,3-dimethyl-2-oxidanylidene-butyl) (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H22ClNO5S MolecularWeight: 387.87828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClNO5S/c1-17(2,3)15(20)11-24-16(21)14-5-4-10-19(14)25(22,23)13-8-6-12(18)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3/t14-/m0/s1