[4-[[1-adamantylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[1-adamantylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[1-adamantylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(1-adamantylamino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[1-adamantylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[1-adamantylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N2O5S/c1-32(28,29)31-21-6-4-17(5-7-21)15-26(16-22-3-2-8-30-22)23(27)25-24-12-18-9-19(13-24)11-20(10-18)14-24/h2-8,18-20H,9-16H2,1H3,(H,25,27)