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

Systemtic Name: [4-[[1-adamantylcarbamoyl(butyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[1-adamantylcarbamoyl(butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(1-adamantylamino)-oxomethyl]-butylamino]methyl]phenyl] ester IUPAC Name: [4-[[1-adamantylcarbamoyl(butyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[1-adamantylcarbamoyl(butyl)amino]methyl]phenyl] ester Formula: C23H34N2O4S MolecularWeight: 434.59206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O4S/c1-3-4-9-25(16-17-5-7-21(8-6-17)29-30(2,27)28)22(26)24-23-13-18-10-19(14-23)12-20(11-18)15-23/h5-8,18-20H,3-4,9-16H2,1-2H3,(H,24,26)