2-[(2R)-4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-2-oxidanyl-butanoyl]oxyethyl cyclohexanecarboxylate

Systemtic Name: 2-[(2R)-4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-2-oxidanyl-butanoyl]oxyethyl cyclohexanecarboxylate Openeye Name: 2-[(2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethyl-butanoyl]oxyethyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid 2-[(2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethyl-1-oxobutoxy]ethyl ester IUPAC Name: 2-[(2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethylbutanoyl]oxyethyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid 2-[(2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethyl-butanoyl]oxyethyl ester Formula: C20H35NO9S MolecularWeight: 465.5582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCS(=O)(=O)OCC(C)(C)C(C(=O)OCCOC(=O)C1CCCCC1)O

Isomeric SMILES

CC(=O)NCCCS(=O)(=O)OCC(C)(C)[C@H](C(=O)OCCOC(=O)C1CCCCC1)O

InChI

InChI=1S/C20H35NO9S/c1-15(22)21-10-7-13-31(26,27)30-14-20(2,3)17(23)19(25)29-12-11-28-18(24)16-8-5-4-6-9-16/h16-17,23H,4-14H2,1-3H3,(H,21,22)/t17-/m0/s1