pyridin-2-ylmethyl 3-(3-acetamidopropylsulfonyloxy)-2,2-dimethyl-propanoate hydrochloride

Systemtic Name: pyridin-2-ylmethyl 3-(3-acetamidopropylsulfonyloxy)-2,2-dimethyl-propanoate hydrochloride Openeye Name: 2-pyridylmethyl 3-(3-acetamidopropylsulfonyloxy)-2,2-dimethyl-propanoate hydrochloride CAS Name: 3-(3-acetamidopropylsulfonyloxy)-2,2-dimethylpropanoic acid 2-pyridinylmethyl ester hydrochloride IUPAC Name: pyridin-2-ylmethyl 3-(3-acetamidopropylsulfonyloxy)-2,2-dimethylpropanoate hydrochloride Traditional Name: 3-(3-acetamidopropylsulfonyloxy)-2,2-dimethyl-propionic acid 2-pyridylmethyl ester hydrochloride Formula: C16H25ClN2O6S MolecularWeight: 408.8975

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCS(=O)(=O)OCC(C)(C)C(=O)OCC1=CC=CC=N1.Cl

Isomeric SMILES

CC(=O)NCCCS(=O)(=O)OCC(C)(C)C(=O)OCC1=CC=CC=N1.Cl

InChI

InChI=1S/C16H24N2O6S.ClH/c1-13(19)17-9-6-10-25(21,22)24-12-16(2,3)15(20)23-11-14-7-4-5-8-18-14;/h4-5,7-8H,6,9-12H2,1-3H3,(H,17,19);1H