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

Systemtic Name: [3-[[2-phenylmethoxyethanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2-benzyloxyacetyl)-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(1-oxo-2-phenylmethoxyethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2-phenylmethoxyacetyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2-benzoxyacetyl)-isopropyl-amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)COCC2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)COCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO5S/c1-4-28(24,25)27-20-12-8-11-19(13-20)14-22(17(2)3)21(23)16-26-15-18-9-6-5-7-10-18/h5-13,17H,4,14-16H2,1-3H3