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

Systemtic Name: [2-methoxy-5-[[(4-methylphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isobutyl-(4-methylbenzoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[[(4-methylphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-methylbenzoyl)-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isobutyl(p-toluoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC(C)C

InChI

InChI=1S/C21H27NO5S/c1-15(2)13-22(21(23)18-9-6-16(3)7-10-18)14-17-8-11-19(26-4)20(12-17)27-28(5,24)25/h6-12,15H,13-14H2,1-5H3