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

Systemtic Name: pyridin-3-ylmethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-acetyloxy-3,3-dimethyl-butanoate hydrochloride Openeye Name: 3-pyridylmethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-acetoxy-3,3-dimethyl-butanoate hydrochloride CAS Name: (2R)-4-(3-acetamidopropylsulfonyloxy)-2-acetyloxy-3,3-dimethylbutanoic acid 3-pyridinylmethyl ester hydrochloride IUPAC Name: pyridin-3-ylmethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-acetyloxy-3,3-dimethylbutanoate hydrochloride Traditional Name: (2R)-4-(3-acetamidopropylsulfonyloxy)-2-acetoxy-3,3-dimethyl-butyric acid 3-pyridylmethyl ester hydrochloride Formula: C19H29ClN2O8S MolecularWeight: 480.96016

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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)OC(=O)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O8S.ClH/c1-14(22)21-9-6-10-30(25,26)28-13-19(3,4)17(29-15(2)23)18(24)27-12-16-7-5-8-20-11-16;/h5,7-8,11,17H,6,9-10,12-13H2,1-4H3,(H,21,22);1H/t17-;/m0./s1