[3-[[1-adamantylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[1-adamantylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[adamantane-1-carbonyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[1-adamantyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[adamantane-1-carbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[adamantane-1-carbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C23H33NO4S MolecularWeight: 419.57742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H33NO4S/c1-4-29(26,27)28-21-7-5-6-17(11-21)15-24(16(2)3)22(25)23-12-18-8-19(13-23)10-20(9-18)14-23/h5-7,11,16,18-20H,4,8-10,12-15H2,1-3H3