[5-[[1-adamantylcarbonyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[1-adamantylcarbonyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[adamantane-1-carbonyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[1-adamantyl(oxo)methyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[adamantane-1-carbonyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[adamantane-1-carbonyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C28H34FNO6S MolecularWeight: 531.636063

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H34FNO6S/c1-34-10-9-30(27(31)28-15-20-11-21(16-28)13-22(12-20)17-28)18-19-3-8-25(35-2)26(14-19)36-37(32,33)24-6-4-23(29)5-7-24/h3-8,14,20-22H,9-13,15-18H2,1-2H3