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

Systemtic Name: [4-[[oxolan-2-ylmethyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-benzyloxyacetyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-oxolanylmethyl-(1-oxo-2-phenylmethoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[oxolan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2-benzoxyacetyl)-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)COCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)COCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO6S/c1-30(25,26)29-20-11-9-18(10-12-20)14-23(15-21-8-5-13-28-21)22(24)17-27-16-19-6-3-2-4-7-19/h2-4,6-7,9-12,21H,5,8,13-17H2,1H3