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

Systemtic Name: [4-[[1-adamantylcarbamoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[1-adamantylcarbamoyl(benzyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(1-adamantylamino)-oxomethyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[1-adamantylcarbamoyl(benzyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[1-adamantylcarbamoyl(benzyl)amino]methyl]phenyl] ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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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)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32N2O4S/c1-33(30,31)32-24-9-7-20(8-10-24)18-28(17-19-5-3-2-4-6-19)25(29)27-26-14-21-11-22(15-26)13-23(12-21)16-26/h2-10,21-23H,11-18H2,1H3,(H,27,29)