[3,5-dimethyl-2-(morpholin-4-ylmethyl)phenyl] 4-fluoranylbenzenesulfonate hydrochloride

Systemtic Name: [3,5-dimethyl-2-(morpholin-4-ylmethyl)phenyl] 4-fluoranylbenzenesulfonate hydrochloride Openeye Name: [3,5-dimethyl-2-(morpholinomethyl)phenyl] 4-fluorobenzenesulfonate hydrochloride CAS Name: 4-fluorobenzenesulfonic acid [3,5-dimethyl-2-(4-morpholinylmethyl)phenyl] ester hydrochloride IUPAC Name: [3,5-dimethyl-2-(morpholin-4-ylmethyl)phenyl] 4-fluorobenzenesulfonate hydrochloride Traditional Name: 4-fluorobenzenesulfonic acid [3,5-dimethyl-2-(morpholinomethyl)phenyl] ester hydrochloride Formula: C19H23ClFNO4S MolecularWeight: 415.906623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CN3CCOCC3)C.Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CN3CCOCC3)C.Cl

InChI

InChI=1S/C19H22FNO4S.ClH/c1-14-11-15(2)18(13-21-7-9-24-10-8-21)19(12-14)25-26(22,23)17-5-3-16(20)4-6-17;/h3-6,11-12H,7-10,13H2,1-2H3;1H