[2-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[(3,3-dimethyl-1-oxobutyl)-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C22H28FNO5S MolecularWeight: 437.524823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CCOC)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)CC(=O)N(CCOC)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H28FNO5S/c1-22(2,3)15-21(25)24(13-14-28-4)16-17-7-5-6-8-20(17)29-30(26,27)19-11-9-18(23)10-12-19/h5-12H,13-16H2,1-4H3