[3-[[2-methoxyethanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methoxyethanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(2-methoxy-1-oxoethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2-methoxyacetyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C15H23NO5S MolecularWeight: 329.41182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO5S/c1-5-22(18,19)21-14-8-6-7-13(9-14)10-16(12(2)3)15(17)11-20-4/h6-9,12H,5,10-11H2,1-4H3