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

Systemtic Name: [4-[[heptanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[heptanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl(1-oxoheptyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[heptanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[enanthyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C23H30FNO5S MolecularWeight: 451.551403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30FNO5S/c1-3-4-5-6-7-23(26)25(16-17-29-2)18-19-8-12-21(13-9-19)30-31(27,28)22-14-10-20(24)11-15-22/h8-15H,3-7,16-18H2,1-2H3