[3-[[1-adamantylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[1-adamantylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[1-adamantylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(1-adamantylamino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[1-adamantylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[1-adamantylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C27H33FN2O5S MolecularWeight: 516.624723

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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)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H33FN2O5S/c1-34-10-9-30(26(31)29-27-15-20-11-21(16-27)13-22(12-20)17-27)18-19-3-2-4-24(14-19)35-36(32,33)25-7-5-23(28)6-8-25/h2-8,14,20-22H,9-13,15-18H2,1H3,(H,29,31)