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

Systemtic Name: [5-[[1-adamantylcarbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[adamantane-1-carbonyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[1-adamantyl(oxo)methyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[adamantane-1-carbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[adamantane-1-carbonyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C30H32FNO6S MolecularWeight: 553.641583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C34CC5CC(C3)CC(C5)C4)OS(=O)(=O)C6=CC=C(C=C6)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C34CC5CC(C3)CC(C5)C4)OS(=O)(=O)C6=CC=C(C=C6)F

InChI

InChI=1S/C30H32FNO6S/c1-36-27-9-4-20(14-28(27)38-39(34,35)26-7-5-24(31)6-8-26)18-32(19-25-3-2-10-37-25)29(33)30-15-21-11-22(16-30)13-23(12-21)17-30/h2-10,14,21-23H,11-13,15-19H2,1H3