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

Systemtic Name: [4-[[1-adamantylcarbamoyl(butan-2-yl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[1-adamantylcarbamoyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(1-adamantylamino)-oxomethyl]-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[1-adamantylcarbamoyl(butan-2-yl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[1-adamantylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C23H34N2O4S MolecularWeight: 434.59206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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