[4-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopropyl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(3-methyl-1-oxobutyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isopropyl(isovaleryl)amino]methyl]phenyl] ester Formula: C16H25NO4S MolecularWeight: 327.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO4S/c1-12(2)10-16(18)17(13(3)4)11-14-6-8-15(9-7-14)21-22(5,19)20/h6-9,12-13H,10-11H2,1-5H3