[3-[[1-adamantylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[1-adamantylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[adamantane-1-carbonyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[1-adamantyl(oxo)methyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[adamantane-1-carbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[adamantane-1-carbonyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C29H30FNO5S MolecularWeight: 523.615603

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N(CC4=CC(=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)F)CC6=CC=CO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N(CC4=CC(=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)F)CC6=CC=CO6

InChI

InChI=1S/C29H30FNO5S/c30-24-6-8-27(9-7-24)37(33,34)36-25-4-1-3-20(14-25)18-31(19-26-5-2-10-35-26)28(32)29-15-21-11-22(16-29)13-23(12-21)17-29/h1-10,14,21-23H,11-13,15-19H2