[5-(1-azanyl-2-oxidanyl-3-phenyl-propan-2-yl)-2-methoxy-4-oxidanyl-4-(phenylmethyl)oxolan-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5-(1-azanyl-2-oxidanyl-3-phenyl-propan-2-yl)-2-methoxy-4-oxidanyl-4-(phenylmethyl)oxolan-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [5-[1-(aminomethyl)-1-hydroxy-2-phenyl-ethyl]-4-benzyl-4-hydroxy-2-methoxy-tetrahydrofuran-3-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [5-(1-amino-2-hydroxy-3-phenylpropan-2-yl)-4-hydroxy-2-methoxy-4-(phenylmethyl)-3-oxolanyl] ester IUPAC Name: [5-(1-amino-2-hydroxy-3-phenylpropan-2-yl)-4-benzyl-4-hydroxy-2-methoxyoxolan-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [5-[1-(aminomethyl)-1-hydroxy-2-phenyl-ethyl]-4-benzyl-4-hydroxy-2-methoxy-tetrahydrofuran-3-yl] ester Formula: C22H26F3NO7S MolecularWeight: 505.50455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(O1)C(CC2=CC=CC=C2)(CN)O)(CC3=CC=CC=C3)O)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1C(C(C(O1)C(CC2=CC=CC=C2)(CN)O)(CC3=CC=CC=C3)O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C22H26F3NO7S/c1-31-18-17(33-34(29,30)22(23,24)25)21(28,13-16-10-6-3-7-11-16)19(32-18)20(27,14-26)12-15-8-4-2-5-9-15/h2-11,17-19,27-28H,12-14,26H2,1H3