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

Systemtic Name: [3-[[2-methoxyethyl(pentanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl(pentanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(1-oxopentyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(pentanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(valeryl)amino]methyl]phenyl] ester Formula: C21H26FNO5S MolecularWeight: 423.498243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO5S/c1-3-4-8-21(24)23(13-14-27-2)16-17-6-5-7-19(15-17)28-29(25,26)20-11-9-18(22)10-12-20/h5-7,9-12,15H,3-4,8,13-14,16H2,1-2H3