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

Systemtic Name: phenethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-2-oxidanyl-butanoate Openeye Name: phenethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethyl-butanoate CAS Name: (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethylbutanoic acid phenethyl ester IUPAC Name: phenethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethylbutanoate Traditional Name: (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethyl-butyric acid phenethyl ester Formula: C19H29NO7S MolecularWeight: 415.50106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCS(=O)(=O)OCC(C)(C)C(C(=O)OCCC1=CC=CC=C1)O

Isomeric SMILES

CC(=O)NCCCS(=O)(=O)OCC(C)(C)[C@H](C(=O)OCCC1=CC=CC=C1)O

InChI

InChI=1S/C19H29NO7S/c1-15(21)20-11-7-13-28(24,25)27-14-19(2,3)17(22)18(23)26-12-10-16-8-5-4-6-9-16/h4-6,8-9,17,22H,7,10-14H2,1-3H3,(H,20,21)/t17-/m0/s1