[2-methoxy-5-[[(2-methylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[(2-methylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isopropyl-(2-methylbenzoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[[(2-methylphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(2-methylbenzoyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isopropyl(o-toluoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)C

InChI

InChI=1S/C20H25NO5S/c1-14(2)21(20(22)17-9-7-6-8-15(17)3)13-16-10-11-18(25-4)19(12-16)26-27(5,23)24/h6-12,14H,13H2,1-5H3