(phenylmethyl) 5-(3-acetamidopropylsulfonyloxy)-4,4-dimethyl-pentanoate

Systemtic Name: (phenylmethyl) 5-(3-acetamidopropylsulfonyloxy)-4,4-dimethyl-pentanoate Openeye Name: benzyl 5-(3-acetamidopropylsulfonyloxy)-4,4-dimethyl-pentanoate CAS Name: 5-(3-acetamidopropylsulfonyloxy)-4,4-dimethylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(3-acetamidopropylsulfonyloxy)-4,4-dimethylpentanoate Traditional Name: 5-(3-acetamidopropylsulfonyloxy)-4,4-dimethyl-valeric acid benzyl ester Formula: C19H29NO6S MolecularWeight: 399.50166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO6S/c1-16(21)20-12-7-13-27(23,24)26-15-19(2,3)11-10-18(22)25-14-17-8-5-4-6-9-17/h4-6,8-9H,7,10-15H2,1-3H3,(H,20,21)