3-[[(1S,2S)-3-methoxy-1-oxidanyl-1-phenyl-propan-2-yl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[(1S,2S)-3-methoxy-1-oxidanyl-1-phenyl-propan-2-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(1S,2S)-2-hydroxy-1-(methoxymethyl)-2-phenyl-ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(1S,2S)-2-hydroxy-1-(methoxymethyl)-2-phenyl-ethyl]amino]propane-1-sulfonic acid Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C(C1=CC=CC=C1)O)NCCCS(=O)(=O)O

Isomeric SMILES

COC[C@@H]([C@H](C1=CC=CC=C1)O)NCCCS(=O)(=O)O

InChI

InChI=1S/C13H21NO5S/c1-19-10-12(14-8-5-9-20(16,17)18)13(15)11-6-3-2-4-7-11/h2-4,6-7,12-15H,5,8-10H2,1H3,(H,16,17,18)/t12-,13-/m0/s1