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

Systemtic Name: [4-[[1-adamantylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[1-adamantylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(1-adamantylamino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[1-adamantylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[1-adamantylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O5S/c1-3-31(27,28)30-21-6-4-17(5-7-21)16-25(8-9-29-2)22(26)24-23-13-18-10-19(14-23)12-20(11-18)15-23/h4-7,18-20H,3,8-16H2,1-2H3,(H,24,26)