[3-[[(2,4-dimethoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(2,4-dimethoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(2,4-dimethoxybenzoyl)-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2,4-dimethoxyphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(2,4-dimethoxybenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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