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

Systemtic Name: [3-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isovaleryl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C17H27NO5S MolecularWeight: 357.46498

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)CC(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)CC(C)C

InChI

InChI=1S/C17H27NO5S/c1-5-24(20,21)23-16-8-6-7-15(12-16)13-18(9-10-22-4)17(19)11-14(2)3/h6-8,12,14H,5,9-11,13H2,1-4H3