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

Systemtic Name: [4-[[2-(4-methoxyphenyl)ethanoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[[2-(4-methoxyphenyl)acetyl]-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[2-(4-methoxyphenyl)-1-oxoethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[2-(4-methoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[2-(4-methoxyphenyl)acetyl]-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6S/c1-27-19-9-5-17(6-10-19)14-22(24)23(16-21-4-3-13-28-21)15-18-7-11-20(12-8-18)29-30(2,25)26/h5-12,21H,3-4,13-16H2,1-2H3