(3-phenyl-1,2-oxazol-5-yl)methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (3-phenyl-1,2-oxazol-5-yl)methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (3-phenylisoxazol-5-yl)methyl (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (3-phenyl-5-isoxazolyl)methyl ester IUPAC Name: (3-phenyl-1,2-oxazol-5-yl)methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid (3-phenylisoxazol-5-yl)methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O5S/c1-16-9-11-19(12-10-16)30(26,27)24-13-5-8-21(24)22(25)28-15-18-14-20(23-29-18)17-6-3-2-4-7-17/h2-4,6-7,9-12,14,21H,5,8,13,15H2,1H3/t21-/m0/s1