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

Systemtic Name: [3-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[1-adamantylcarbamoyl(isopropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(1-adamantylamino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[1-adamantylcarbamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O4S/c1-15(2)24(14-16-5-4-6-20(10-16)28-29(3,26)27)21(25)23-22-11-17-7-18(12-22)9-19(8-17)13-22/h4-6,10,15,17-19H,7-9,11-14H2,1-3H3,(H,23,25)