[3-[[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-ethyl-amino]-2-oxidanyl-propyl]sulfamic acid

Systemtic Name: [3-[[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-ethyl-amino]-2-oxidanyl-propyl]sulfamic acid Openeye Name: [3-[[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-ethyl-amino]-2-hydroxy-propyl]sulfamic acid CAS Name: [3-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-ethylamino]-2-hydroxypropyl]sulfamic acid IUPAC Name: [3-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-ethylamino]-2-hydroxypropyl]sulfamic acid Traditional Name: [3-[[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-ethyl-amino]-2-hydroxy-propyl]sulfamic acid Formula: C18H32N2O6S MolecularWeight: 404.52148

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CNS(=O)(=O)O)O)CC(COC1=CC=C(C=C1)C(C)(C)C)O

Isomeric SMILES

CCN(CC(CNS(=O)(=O)O)O)CC(COC1=CC=C(C=C1)C(C)(C)C)O

InChI

InChI=1S/C18H32N2O6S/c1-5-20(11-15(21)10-19-27(23,24)25)12-16(22)13-26-17-8-6-14(7-9-17)18(2,3)4/h6-9,15-16,19,21-22H,5,10-13H2,1-4H3,(H,23,24,25)