[(2R,3R,4S,5R,6S)-6-[S-ethyl-N-(4-methylphenyl)sulfonyl-sulfinimidoyl]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6S)-6-[S-ethyl-N-(4-methylphenyl)sulfonyl-sulfinimidoyl]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6S)-3,4,5-tribenzoyloxy-6-[S-ethyl-N-(p-tolylsulfonyl)sulfinimidoyl]tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6S)-3,4,5-tribenzoyloxy-6-[S-ethyl-N-(4-methylphenyl)sulfonylsulfinimidoyl]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-tribenzoyloxy-6-[S-ethyl-N-(4-methylphenyl)sulfonylsulfinimidoyl]oxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6S)-3,4,5-tribenzoyloxy-6-(S-ethyl-N-tosyl-sulfinimidoyl)tetrahydropyran-2-yl]methyl ester Formula: C43H39NO11S2 MolecularWeight: 809.89986

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=NS(=O)(=O)C1=CC=C(C=C1)C)C2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CC/S(=N\S(=O)(=O)C1=CC=C(C=C1)C)/[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C43H39NO11S2/c1-3-56(44-57(49,50)34-26-24-29(2)25-27-34)43-38(55-42(48)33-22-14-7-15-23-33)37(54-41(47)32-20-12-6-13-21-32)36(53-40(46)31-18-10-5-11-19-31)35(52-43)28-51-39(45)30-16-8-4-9-17-30/h4-27,35-38,43H,3,28H2,1-2H3/t35-,36-,37+,38-,43+,56?/m1/s1