[4-[[1-adamantylcarbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[1-adamantylcarbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[adamantane-1-carbonyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[1-adamantyl(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[adamantane-1-carbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[adamantane-1-carbonyl(isobutyl)amino]methyl]phenyl] ester Formula: C24H35NO4S MolecularWeight: 433.604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO4S/c1-4-30(27,28)29-22-7-5-18(6-8-22)16-25(15-17(2)3)23(26)24-12-19-9-20(13-24)11-21(10-19)14-24/h5-8,17,19-21H,4,9-16H2,1-3H3