[3-[[1-adamantylcarbamoyl(butan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[1-adamantylcarbamoyl(butan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[1-adamantylcarbamoyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(1-adamantylamino)-oxomethyl]-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[1-adamantylcarbamoyl(butan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[1-adamantylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C24H36N2O4S MolecularWeight: 448.61864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H36N2O4S/c1-4-17(3)26(16-18-7-6-8-22(12-18)30-31(28,29)5-2)23(27)25-24-13-19-9-20(14-24)11-21(10-19)15-24/h6-8,12,17,19-21H,4-5,9-11,13-16H2,1-3H3,(H,25,27)