[4-[[1-adamantylcarbonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[1-adamantylcarbonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[adamantane-1-carbonyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[1-adamantyl(oxo)methyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[adamantane-1-carbonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[adamantane-1-carbonyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C24H33NO5S MolecularWeight: 447.58752

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33NO5S/c1-31(27,28)30-21-6-4-17(5-7-21)15-25(16-22-3-2-8-29-22)23(26)24-12-18-9-19(13-24)11-20(10-18)14-24/h4-7,18-20,22H,2-3,8-16H2,1H3