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

Systemtic Name: 2,5,6-trimethyl-4-(4-phenylmethoxyphenyl)sulfonyl-morpholine-3-carboxylic acid Openeye Name: 4-(4-benzyloxyphenyl)sulfonyl-2,5,6-trimethyl-morpholine-3-carboxylic acid CAS Name: 2,5,6-trimethyl-4-(4-phenylmethoxyphenyl)sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 2,5,6-trimethyl-4-(4-phenylmethoxyphenyl)sulfonylmorpholine-3-carboxylic acid Traditional Name: 4-(4-benzoxyphenyl)sulfonyl-2,5,6-trimethyl-morpholine-3-carboxylic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(C(N1S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C)C

Isomeric SMILES

CC1C(OC(C(N1S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C)C

InChI

InChI=1S/C21H25NO6S/c1-14-15(2)28-16(3)20(21(23)24)22(14)29(25,26)19-11-9-18(10-12-19)27-13-17-7-5-4-6-8-17/h4-12,14-16,20H,13H2,1-3H3,(H,23,24)