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

Systemtic Name: [3-[[(2,4-dimethoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(2,4-dimethoxybenzoyl)-isopropyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2,4-dimethoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2,4-dimethoxybenzoyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(2,4-dimethoxybenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO6S/c1-14(2)21(13-15-7-6-8-17(11-15)27-28(5,23)24)20(22)18-10-9-16(25-3)12-19(18)26-4/h6-12,14H,13H2,1-5H3