[5-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[1-adamantylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(1-adamantylamino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[1-adamantylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H36N2O5S MolecularWeight: 464.61804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C(C)C)C(=O)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(C(C)C)C(=O)NC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C24H36N2O5S/c1-5-32(28,29)31-22-11-17(6-7-21(22)30-4)15-26(16(2)3)23(27)25-24-12-18-8-19(13-24)10-20(9-18)14-24/h6-7,11,16,18-20H,5,8-10,12-15H2,1-4H3,(H,25,27)