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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CCOC)CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCCC(=O)N(CCOC)CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H28FNO5S/c1-3-4-5-9-22(25)24(14-15-28-2)17-18-7-6-8-20(16-18)29-30(26,27)21-12-10-19(23)11-13-21/h6-8,10-13,16H,3-5,9,14-15,17H2,1-2H3