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

Systemtic Name: [4-[[1-adamantylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[1-adamantylcarbamoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(1-adamantylamino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[1-adamantylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[1-adamantylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C24H36N2O4S MolecularWeight: 448.61864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O4S/c1-4-31(28,29)30-22-7-5-18(6-8-22)16-26(15-17(2)3)23(27)25-24-12-19-9-20(13-24)11-21(10-19)14-24/h5-8,17,19-21H,4,9-16H2,1-3H3,(H,25,27)