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

Systemtic Name: [3-[[cyclohexylcarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclohexanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[cyclohexyl(oxo)methyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclohexanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclohexanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C23H28FNO5S MolecularWeight: 449.535523

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCCCC3

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCCCC3

InChI

InChI=1S/C23H28FNO5S/c1-29-15-14-25(23(26)19-7-3-2-4-8-19)17-18-6-5-9-21(16-18)30-31(27,28)22-12-10-20(24)11-13-22/h5-6,9-13,16,19H,2-4,7-8,14-15,17H2,1H3