[2-methoxy-5-[[2-phenoxyethanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[2-phenoxyethanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isopropyl-(2-phenoxyacetyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[(1-oxo-2-phenoxyethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(2-phenoxyacetyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isopropyl-(2-phenoxyacetyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-5-29(24,25)28-20-13-17(11-12-19(20)26-4)14-22(16(2)3)21(23)15-27-18-9-7-6-8-10-18/h6-13,16H,5,14-15H2,1-4H3