[5-[[1-adamantylcarbonyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[1-adamantylcarbonyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[adamantane-1-carbonyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[1-adamantyl(oxo)methyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[adamantane-1-carbonyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[adamantane-1-carbonyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H37NO5S MolecularWeight: 463.62998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO5S/c1-5-32(28,29)31-23-11-18(6-7-22(23)30-4)16-26(15-17(2)3)24(27)25-12-19-8-20(13-25)10-21(9-19)14-25/h6-7,11,17,19-21H,5,8-10,12-16H2,1-4H3