[3-[[1-adamantylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[1-adamantylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[1-adamantylcarbamoyl(isobutyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(1-adamantylamino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[1-adamantylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[1-adamantylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C23H34N2O4S MolecularWeight: 434.59206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O4S/c1-16(2)14-25(15-17-5-4-6-21(10-17)29-30(3,27)28)22(26)24-23-11-18-7-19(12-23)9-20(8-18)13-23/h4-6,10,16,18-20H,7-9,11-15H2,1-3H3,(H,24,26)