sodium 2-[[(2S,3R,4S,5R)-4-carboxy-2-methoxy-5-methyl-oxolan-3-yl]sulfamoyl]benzenesulfonate

Systemtic Name: sodium 2-[[(2S,3R,4S,5R)-4-carboxy-2-methoxy-5-methyl-oxolan-3-yl]sulfamoyl]benzenesulfonate Openeye Name: sodium 2-[[(2S,3R,4S,5R)-4-carboxy-2-methoxy-5-methyl-tetrahydrofuran-3-yl]sulfamoyl]benzenesulfonate CAS Name: sodium 2-[[(2S,3R,4S,5R)-4-carboxy-2-methoxy-5-methyl-3-oxolanyl]sulfamoyl]benzenesulfonate IUPAC Name: sodium 2-[[(2S,3R,4S,5R)-4-carboxy-2-methoxy-5-methyloxolan-3-yl]sulfamoyl]benzenesulfonate Traditional Name: sodium 2-[[(2S,3R,4S,5R)-4-carboxy-2-methoxy-5-methyl-tetrahydrofuran-3-yl]sulfamoyl]besylate Formula: C13H16NNaO9S2 MolecularWeight: 417.38721

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)OC)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

C[C@@H]1[C@H]([C@H]([C@H](O1)OC)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)[O-])C(=O)O.[Na+]

InChI

InChI=1S/C13H17NO9S2.Na/c1-7-10(12(15)16)11(13(22-2)23-7)14-24(17,18)8-5-3-4-6-9(8)25(19,20)21;/h3-7,10-11,13-14H,1-2H3,(H,15,16)(H,19,20,21);/q;+1/p-1/t7-,10-,11-,13+;/m1./s1