[4-(methylsulfonyloxymethyl)-5-(octadecylcarbamoyloxy)pentan-2-yl] benzoate

Systemtic Name: [4-(methylsulfonyloxymethyl)-5-(octadecylcarbamoyloxy)pentan-2-yl] benzoate Openeye Name: [1-methyl-3-(methylsulfonyloxymethyl)-4-(octadecylcarbamoyloxy)butyl] benzoate CAS Name: benzoic acid [4-(methylsulfonyloxymethyl)-5-[(octadecylamino)-oxomethoxy]pentan-2-yl] ester IUPAC Name: [4-(methylsulfonyloxymethyl)-5-(octadecylcarbamoyloxy)pentan-2-yl] benzoate Traditional Name: benzoic acid [1-methyl-3-(methylsulfonyloxymethyl)-4-(stearylcarbamoyloxy)butyl] ester Formula: C33H57NO7S MolecularWeight: 611.87318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CC(C)OC(=O)C1=CC=CC=C1)COS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CC(C)OC(=O)C1=CC=CC=C1)COS(=O)(=O)C

InChI

InChI=1S/C33H57NO7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-34-33(36)39-27-30(28-40-42(3,37)38)26-29(2)41-32(35)31-23-20-19-21-24-31/h19-21,23-24,29-30H,4-18,22,25-28H2,1-3H3,(H,34,36)