[5-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[1-adamantylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(1-adamantylamino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[1-adamantylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H34N2O5S/c1-15(2)25(14-16-5-6-20(29-3)21(10-16)30-31(4,27)28)22(26)24-23-11-17-7-18(12-23)9-19(8-17)13-23/h5-6,10,15,17-19H,7-9,11-14H2,1-4H3,(H,24,26)