[1-(tert-butylamino)-3-(3-methylsulfonyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl] methanesulfonate

Systemtic Name: [1-(tert-butylamino)-3-(3-methylsulfonyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl] methanesulfonate Openeye Name: [1-(tert-butylamino)-2-hydroxy-3-(4-hydroxy-3-methylsulfonyl-phenoxy)propyl] methanesulfonate CAS Name: methanesulfonic acid [1-(tert-butylamino)-2-hydroxy-3-(4-hydroxy-3-methylsulfonylphenoxy)propyl] ester IUPAC Name: [1-(tert-butylamino)-2-hydroxy-3-(4-hydroxy-3-methylsulfonylphenoxy)propyl] methanesulfonate Traditional Name: methanesulfonic acid [1-(tert-butylamino)-2-hydroxy-3-(4-hydroxy-3-mesyl-phenoxy)propyl] ester Formula: C15H25NO8S2 MolecularWeight: 411.4909

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(C(COC1=CC(=C(C=C1)O)S(=O)(=O)C)O)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)NC(C(COC1=CC(=C(C=C1)O)S(=O)(=O)C)O)OS(=O)(=O)C

InChI

InChI=1S/C15H25NO8S2/c1-15(2,3)16-14(24-26(5,21)22)12(18)9-23-10-6-7-11(17)13(8-10)25(4,19)20/h6-8,12,14,16-18H,9H2,1-5H3