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

Systemtic Name: [3-[[1-adamantylcarbonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[adamantane-1-carbonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[1-adamantyl(oxo)methyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[adamantane-1-carbonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[adamantane-1-carbonyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C23H33NO5S MolecularWeight: 435.57682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO5S/c1-3-30(26,27)29-21-6-4-5-17(12-21)16-24(7-8-28-2)22(25)23-13-18-9-19(14-23)11-20(10-18)15-23/h4-6,12,18-20H,3,7-11,13-16H2,1-2H3