[4-[[1-adamantylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[1-adamantylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[1-adamantylcarbamoyl(isobutyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(1-adamantylamino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[1-adamantylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[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=C(C=C1)OS(=O)(=O)C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

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