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

Systemtic Name: [4-[[2-methoxyethanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl-(2-methoxyacetyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(2-methoxy-1-oxoethyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-methoxyacetyl)-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isobutyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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