sodium [(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]methanesulfonate

Systemtic Name: sodium [(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]methanesulfonate Openeye Name: sodium [(2S)-1-benzyloxycarbonylpyrrolidin-2-yl]methanesulfonate CAS Name: sodium [(2S)-1-phenylmethoxycarbonyl-2-pyrrolidinyl]methanesulfonate IUPAC Name: sodium [(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]methanesulfonate Traditional Name: sodium [(2S)-1-carbobenzoxypyrrolidin-2-yl]methanesulfonate Formula: C13H16NNaO5S MolecularWeight: 321.32461

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H17NO5S.Na/c15-13(19-9-11-5-2-1-3-6-11)14-8-4-7-12(14)10-20(16,17)18;/h1-3,5-6,12H,4,7-10H2,(H,16,17,18);/q;+1/p-1/t12-;/m0./s1