[4-[[(3,5-dimethoxyphenyl)carbonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3,5-dimethoxyphenyl)carbonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3,5-dimethoxybenzoyl)-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3,5-dimethoxyphenyl)-oxomethyl]-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,5-dimethoxybenzoyl)-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3,5-dimethoxybenzoyl)-(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C21H27NO7S MolecularWeight: 437.50658

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

COCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H27NO7S/c1-26-11-5-10-22(15-16-6-8-18(9-7-16)29-30(4,24)25)21(23)17-12-19(27-2)14-20(13-17)28-3/h6-9,12-14H,5,10-11,15H2,1-4H3