[4-[[(2,4-dimethoxyphenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(2,4-dimethoxyphenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2,4-dimethoxybenzoyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2,4-dimethoxyphenyl)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2,4-dimethoxybenzoyl)-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C)OC

InChI

InChI=1S/C22H27NO7S/c1-27-18-10-11-20(21(13-18)28-2)22(24)23(15-19-5-4-12-29-19)14-16-6-8-17(9-7-16)30-31(3,25)26/h6-11,13,19H,4-5,12,14-15H2,1-3H3