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

Systemtic Name: [3-[[2-methoxyethyl(2-phenoxyethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl-(2-phenoxyacetyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-(1-oxo-2-phenoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(2-phenoxyacetyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl-(2-phenoxyacetyl)amino]methyl]phenyl] ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)COC2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H25NO6S/c1-3-28(23,24)27-19-11-7-8-17(14-19)15-21(12-13-25-2)20(22)16-26-18-9-5-4-6-10-18/h4-11,14H,3,12-13,15-16H2,1-2H3