pyridin-3-ylmethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-2-oxidanyl-butanoate

Systemtic Name: pyridin-3-ylmethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-2-oxidanyl-butanoate Openeye Name: 3-pyridylmethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethyl-butanoate CAS Name: (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethylbutanoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethylbutanoate Traditional Name: (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethyl-butyric acid 3-pyridylmethyl ester Formula: C17H26N2O7S MolecularWeight: 402.46254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCS(=O)(=O)OCC(C)(C)C(C(=O)OCC1=CN=CC=C1)O

Isomeric SMILES

CC(=O)NCCCS(=O)(=O)OCC(C)(C)[C@H](C(=O)OCC1=CN=CC=C1)O

InChI

InChI=1S/C17H26N2O7S/c1-13(20)19-8-5-9-27(23,24)26-12-17(2,3)15(21)16(22)25-11-14-6-4-7-18-10-14/h4,6-7,10,15,21H,5,8-9,11-12H2,1-3H3,(H,19,20)/t15-/m0/s1