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

Systemtic Name: [3-[[butanoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[butanoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl(1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butanoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[butyryl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CCOC)CC1=CC(=CC=C1)OS(=O)(=O)CC

Isomeric SMILES

CCCC(=O)N(CCOC)CC1=CC(=CC=C1)OS(=O)(=O)CC

InChI

InChI=1S/C16H25NO5S/c1-4-7-16(18)17(10-11-21-3)13-14-8-6-9-15(12-14)22-23(19,20)5-2/h6,8-9,12H,4-5,7,10-11,13H2,1-3H3