[2-methoxy-5-[[(3-methoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[(3-methoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isobutyl-(3-methoxybenzoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[[(3-methoxyphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isobutyl(m-anisoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-15(2)13-22(21(23)17-7-6-8-18(12-17)26-3)14-16-9-10-19(27-4)20(11-16)28-29(5,24)25/h6-12,15H,13-14H2,1-5H3