[5-[[(3,5-dimethoxyphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(3,5-dimethoxyphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(3,5-dimethoxybenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(3,5-dimethoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3,5-dimethoxybenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(3,5-dimethoxybenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO7S MolecularWeight: 437.50658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO7S/c1-14(2)22(21(23)16-10-17(26-3)12-18(11-16)27-4)13-15-7-8-19(28-5)20(9-15)29-30(6,24)25/h7-12,14H,13H2,1-6H3