tert-butyl (4R)-2,2-dimethyl-4-[[2-oxidanylidene-3-phenylsulfanyl-1-(phenylsulfonyl)piperidin-3-yl]methyl]-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4R)-2,2-dimethyl-4-[[2-oxidanylidene-3-phenylsulfanyl-1-(phenylsulfonyl)piperidin-3-yl]methyl]-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4R)-4-[[1-(benzenesulfonyl)-2-oxo-3-phenylsulfanyl-3-piperidyl]methyl]-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: (4R)-4-[[1-(benzenesulfonyl)-2-oxo-3-(phenylthio)-3-piperidinyl]methyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-4-[[1-(benzenesulfonyl)-2-oxo-3-phenylsulfanylpiperidin-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: (4R)-4-[[1-besyl-2-keto-3-(phenylthio)-3-piperidyl]methyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester Formula: C28H36N2O6S2 MolecularWeight: 560.72524

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(CO1)CC2(CCCN(C2=O)S(=O)(=O)C3=CC=CC=C3)SC4=CC=CC=C4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(N([C@@H](CO1)CC2(CCCN(C2=O)S(=O)(=O)C3=CC=CC=C3)SC4=CC=CC=C4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C28H36N2O6S2/c1-26(2,3)36-25(32)30-21(20-35-27(30,4)5)19-28(37-22-13-8-6-9-14-22)17-12-18-29(24(28)31)38(33,34)23-15-10-7-11-16-23/h6-11,13-16,21H,12,17-20H2,1-5H3/t21-,28?/m1/s1