[5-[[(2,4-dimethoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(2,4-dimethoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(2,4-dimethoxybenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2,4-dimethoxyphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(2,4-dimethoxybenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29NO7S MolecularWeight: 451.53316

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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=C(C=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO7S/c1-15(2)13-23(22(24)18-9-8-17(27-3)12-20(18)29-5)14-16-7-10-19(28-4)21(11-16)30-31(6,25)26/h7-12,15H,13-14H2,1-6H3