(phenylmethyl) 3-(3-acetamidopropylsulfonyloxy)-2-(3-acetamidopropylsulfonyloxymethyl)-2-methyl-propanoate

Systemtic Name: (phenylmethyl) 3-(3-acetamidopropylsulfonyloxy)-2-(3-acetamidopropylsulfonyloxymethyl)-2-methyl-propanoate Openeye Name: benzyl 3-(3-acetamidopropylsulfonyloxy)-2-(3-acetamidopropylsulfonyloxymethyl)-2-methyl-propanoate CAS Name: 3-(3-acetamidopropylsulfonyloxy)-2-(3-acetamidopropylsulfonyloxymethyl)-2-methylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-acetamidopropylsulfonyloxy)-2-(3-acetamidopropylsulfonyloxymethyl)-2-methylpropanoate Traditional Name: 3-(3-acetamidopropylsulfonyloxy)-2-(3-acetamidopropylsulfonyloxymethyl)-2-methyl-propionic acid benzyl ester Formula: C22H34N2O10S2 MolecularWeight: 550.64276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O10S2/c1-18(25)23-11-7-13-35(28,29)33-16-22(3,21(27)32-15-20-9-5-4-6-10-20)17-34-36(30,31)14-8-12-24-19(2)26/h4-6,9-10H,7-8,11-17H2,1-3H3,(H,23,25)(H,24,26)