5-(hydroxymethyl)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)sulfonyl-morpholine-3-carboxylic acid

Systemtic Name: 5-(hydroxymethyl)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)sulfonyl-morpholine-3-carboxylic acid Openeye Name: 4-(4-benzyloxyphenyl)sulfonyl-5-(hydroxymethyl)-2,6-dimethyl-morpholine-3-carboxylic acid CAS Name: 5-(hydroxymethyl)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 5-(hydroxymethyl)-2,6-dimethyl-4-(4-phenylmethoxyphenyl)sulfonylmorpholine-3-carboxylic acid Traditional Name: 4-(4-benzoxyphenyl)sulfonyl-2,6-dimethyl-5-methylol-morpholine-3-carboxylic acid Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(C(O1)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)CO

Isomeric SMILES

CC1C(N(C(C(O1)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)CO

InChI

InChI=1S/C21H25NO7S/c1-14-19(12-23)22(20(21(24)25)15(2)29-14)30(26,27)18-10-8-17(9-11-18)28-13-16-6-4-3-5-7-16/h3-11,14-15,19-20,23H,12-13H2,1-2H3,(H,24,25)