(4-chloranyl-2-methyl-phenyl) (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) (2S)-1-(3,5-dimethylisoxazol-4-yl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-2-pyrrolidinecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(3,5-dimethylisoxazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid (4-chloro-2-methyl-phenyl) ester Formula: C17H19ClN2O5S MolecularWeight: 398.86116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)C2CCCN2S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)[C@@H]2CCCN2S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C17H19ClN2O5S/c1-10-9-13(18)6-7-15(10)24-17(21)14-5-4-8-20(14)26(22,23)16-11(2)19-25-12(16)3/h6-7,9,14H,4-5,8H2,1-3H3/t14-/m0/s1