(phenylmethyl) 4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-butanoate

Systemtic Name: (phenylmethyl) 4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-butanoate Openeye Name: benzyl 4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-butanoate CAS Name: 4-(3-acetamidopropylsulfonyloxy)-3,3-dimethylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-acetamidopropylsulfonyloxy)-3,3-dimethylbutanoate Traditional Name: 4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-butyric acid benzyl ester Formula: C18H27NO6S MolecularWeight: 385.47508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO6S/c1-15(20)19-10-7-11-26(22,23)25-14-18(2,3)12-17(21)24-13-16-8-5-4-6-9-16/h4-6,8-9H,7,10-14H2,1-3H3,(H,19,20)