tert-butyl 4-[(3R,4R)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3R,4R)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3R,4R)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3R,4R)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3R,4R)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3R,4R)-1-besyl-4-hydroxy-pyrrolidin-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2CN(CC2O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)[C@@H]2CN(C[C@H]2O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H29N3O5S/c1-19(2,3)27-18(24)21-11-9-20(10-12-21)16-13-22(14-17(16)23)28(25,26)15-7-5-4-6-8-15/h4-8,16-17,23H,9-14H2,1-3H3/t16-,17-/m1/s1