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

Systemtic Name: tert-butyl (2S,4S)-4-butyl-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,4S)-4-butyl-4-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-butyl-4-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-4-butyl-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-butyl-4-hydroxy-1-tosyl-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C20H31NO5S MolecularWeight: 397.52884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCC[C@@]1(C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C20H31NO5S/c1-6-7-12-20(23)13-17(18(22)26-19(3,4)5)21(14-20)27(24,25)16-10-8-15(2)9-11-16/h8-11,17,23H,6-7,12-14H2,1-5H3/t17-,20-/m0/s1