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

Systemtic Name: (phenylmethyl) (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-(3,5-dimethylisoxazol-4-yl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H20N2O5S/c1-12-16(13(2)24-18-12)25(21,22)19-10-6-9-15(19)17(20)23-11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3/t15-/m0/s1