[4-[[1-adamantylcarbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[1-adamantylcarbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[adamantane-1-carbonyl(benzyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[1-adamantyl(oxo)methyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[adamantane-1-carbonyl(benzyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[adamantane-1-carbonyl(benzyl)amino]methyl]phenyl] ester Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H31NO4S/c1-32(29,30)31-24-9-7-20(8-10-24)18-27(17-19-5-3-2-4-6-19)25(28)26-14-21-11-22(15-26)13-23(12-21)16-26/h2-10,21-23H,11-18H2,1H3