[4-[[1-adamantylcarbonyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[1-adamantylcarbonyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[adamantane-1-carbonyl(isopentyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[1-adamantyl(oxo)methyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[adamantane-1-carbonyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[adamantane-1-carbonyl(isoamyl)amino]methyl]phenyl] ester Formula: C24H35NO4S MolecularWeight: 433.604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H35NO4S/c1-17(2)8-9-25(16-18-4-6-22(7-5-18)29-30(3,27)28)23(26)24-13-19-10-20(14-24)12-21(11-19)15-24/h4-7,17,19-21H,8-16H2,1-3H3