[(1R,2S,3S,4R,6R)-4-acetamido-2-acetyloxy-6-methyl-3-(4-methylphenyl)sulfonyloxy-cyclohexyl] ethanoate

Systemtic Name: [(1R,2S,3S,4R,6R)-4-acetamido-2-acetyloxy-6-methyl-3-(4-methylphenyl)sulfonyloxy-cyclohexyl] ethanoate Openeye Name: [(1R,2S,3S,4R,6R)-4-acetamido-2-acetoxy-6-methyl-3-(p-tolylsulfonyloxy)cyclohexyl] acetate CAS Name: acetic acid [(1R,2S,3S,4R,6R)-4-acetamido-2-acetyloxy-6-methyl-3-(4-methylphenyl)sulfonyloxycyclohexyl] ester IUPAC Name: [(1R,2S,3S,4R,6R)-4-acetamido-2-acetyloxy-6-methyl-3-(4-methylphenyl)sulfonyloxycyclohexyl] acetate Traditional Name: acetic acid [(1R,2S,3S,4R,6R)-4-acetamido-2-acetoxy-6-methyl-3-tosyloxy-cyclohexyl] ester Formula: C20H27NO8S MolecularWeight: 441.49528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1OC(=O)C)OC(=O)C)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C

Isomeric SMILES

C[C@@H]1C[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C

InChI

InChI=1S/C20H27NO8S/c1-11-6-8-16(9-7-11)30(25,26)29-19-17(21-13(3)22)10-12(2)18(27-14(4)23)20(19)28-15(5)24/h6-9,12,17-20H,10H2,1-5H3,(H,21,22)/t12-,17-,18-,19+,20+/m1/s1