[4-(2,6-dimethylmorpholin-4-yl)carbonylphenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(2,6-dimethylmorpholin-4-yl)carbonylphenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(2,6-dimethyl-4-morpholinyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CN(CC(O1)C)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H25NO5S/c1-14-5-6-15(2)20(11-14)28(24,25)27-19-9-7-18(8-10-19)21(23)22-12-16(3)26-17(4)13-22/h5-11,16-17H,12-13H2,1-4H3