[2,5-dimethyl-4-(morpholin-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate hydrochloride

Systemtic Name: [2,5-dimethyl-4-(morpholin-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate hydrochloride Openeye Name: [2,5-dimethyl-4-(morpholinomethyl)phenyl] 4-methoxybenzenesulfonate hydrochloride CAS Name: 4-methoxybenzenesulfonic acid [2,5-dimethyl-4-(4-morpholinylmethyl)phenyl] ester hydrochloride IUPAC Name: [2,5-dimethyl-4-(morpholin-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate hydrochloride Traditional Name: 4-methoxybenzenesulfonic acid [2,5-dimethyl-4-(morpholinomethyl)phenyl] ester hydrochloride Formula: C20H26ClNO5S MolecularWeight: 427.94214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCOCC2)C)OS(=O)(=O)C3=CC=C(C=C3)OC.Cl

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCOCC2)C)OS(=O)(=O)C3=CC=C(C=C3)OC.Cl

InChI

InChI=1S/C20H25NO5S.ClH/c1-15-13-20(16(2)12-17(15)14-21-8-10-25-11-9-21)26-27(22,23)19-6-4-18(24-3)5-7-19;/h4-7,12-13H,8-11,14H2,1-3H3;1H