[5-[[1-adamantylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[1-adamantylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[1-adamantylcarbamoyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(1-adamantylamino)-oxomethyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[1-adamantylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[1-adamantylcarbamoyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)NC34CC5CC(C3)CC(C5)C4)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)NC34CC5CC(C3)CC(C5)C4)OS(=O)(=O)C

InChI

InChI=1S/C25H32N2O6S/c1-31-22-6-5-17(11-23(22)33-34(2,29)30)15-27(16-21-4-3-7-32-21)24(28)26-25-12-18-8-19(13-25)10-20(9-18)14-25/h3-7,11,18-20H,8-10,12-16H2,1-2H3,(H,26,28)