N-[(2R)-3-[[(2R)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-ethyl-azaniumyl]-2-oxidanyl-propyl]-N-phenethyl-sulfamate

Systemtic Name: N-[(2R)-3-[[(2R)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-ethyl-azaniumyl]-2-oxidanyl-propyl]-N-phenethyl-sulfamate Openeye Name: N-[(2R)-3-[[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-ethyl-ammonio]-2-hydroxy-propyl]-N-phenethyl-sulfamate CAS Name: N-[(2R)-3-[[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-ethylammonio]-2-hydroxypropyl]-N-phenethylsulfamate IUPAC Name: N-[(2R)-3-[[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-ethylazaniumyl]-2-hydroxypropyl]-N-phenethylsulfamate Traditional Name: N-[(2R)-3-[[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-ethyl-ammonio]-2-hydroxy-propyl]-N-phenethyl-sulfamate Formula: C26H40N2O6S MolecularWeight: 508.6706

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(CN(CCC1=CC=CC=C1)S(=O)(=O)[O-])O)CC(COC2=CC=C(C=C2)C(C)(C)C)O

Isomeric SMILES

CC[NH+](C[C@H](CN(CCC1=CC=CC=C1)S(=O)(=O)[O-])O)C[C@H](COC2=CC=C(C=C2)C(C)(C)C)O

InChI

InChI=1S/C26H40N2O6S/c1-5-27(18-24(30)20-34-25-13-11-22(12-14-25)26(2,3)4)17-23(29)19-28(35(31,32)33)16-15-21-9-7-6-8-10-21/h6-14,23-24,29-30H,5,15-20H2,1-4H3,(H,31,32,33)/t23-,24-/m1/s1