[3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate sulfate

Systemtic Name: [3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate sulfate Openeye Name: [3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate sulfate CAS Name: 2-methylpropanoic acid [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2-methyl-1-oxopropoxy)phenyl] ester sulfate IUPAC Name: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate sulfate Traditional Name: 2-methylpropionic acid [3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-isobutyryloxy-phenyl] ester sulfate Formula: C20H31NO9S-2 MolecularWeight: 461.52644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC(=CC(=C1)C(CNC(C)(C)C)O)OC(=O)C(C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(C)C(=O)OC1=CC(=CC(=C1)C(CNC(C)(C)C)O)OC(=O)C(C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C20H31NO5.H2O4S/c1-12(2)18(23)25-15-8-14(17(22)11-21-20(5,6)7)9-16(10-15)26-19(24)13(3)4;1-5(2,3)4/h8-10,12-13,17,21-22H,11H2,1-7H3;(H2,1,2,3,4)/p-2