phenacyl (2S,4S)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: phenacyl (2S,4S)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: phenacyl (2S,4S)-4-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl (2S,4S)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-hydroxy-1-tosyl-pyrrolidine-2-carboxylic acid phenacyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OCC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]2C(=O)OCC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H21NO6S/c1-14-7-9-17(10-8-14)28(25,26)21-12-16(22)11-18(21)20(24)27-13-19(23)15-5-3-2-4-6-15/h2-10,16,18,22H,11-13H2,1H3/t16-,18-/m0/s1