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

Systemtic Name: [2,5-dimethyl-4-(morpholin-4-ylmethyl)phenyl] 4-chloranylbenzenesulfonate hydrochloride Openeye Name: [2,5-dimethyl-4-(morpholinomethyl)phenyl] 4-chlorobenzenesulfonate hydrochloride CAS Name: 4-chlorobenzenesulfonic acid [2,5-dimethyl-4-(4-morpholinylmethyl)phenyl] ester hydrochloride IUPAC Name: [2,5-dimethyl-4-(morpholin-4-ylmethyl)phenyl] 4-chlorobenzenesulfonate hydrochloride Traditional Name: 4-chlorobenzenesulfonic acid [2,5-dimethyl-4-(morpholinomethyl)phenyl] ester hydrochloride Formula: C19H23Cl2NO4S MolecularWeight: 432.36122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO4S.ClH/c1-14-12-19(25-26(22,23)18-5-3-17(20)4-6-18)15(2)11-16(14)13-21-7-9-24-10-8-21;/h3-6,11-12H,7-10,13H2,1-2H3;1H