[4-[[oxolan-2-ylmethyl(2-phenoxyethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[oxolan-2-ylmethyl(2-phenoxyethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-phenoxyacetyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-oxolanylmethyl-(1-oxo-2-phenoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[oxolan-2-ylmethyl-(2-phenoxyacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2-phenoxyacetyl)-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H25NO6S/c1-29(24,25)28-19-11-9-17(10-12-19)14-22(15-20-8-5-13-26-20)21(23)16-27-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3