[2-[[cyclopropyl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-[[cyclopropyl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [2-[[cyclopropyl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[cyclopropyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[cyclopropyl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[cyclopropyl(isovaleryl)amino]methyl]phenyl] ester Formula: C16H23NO4S MolecularWeight: 325.42312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C)C2CC2

Isomeric SMILES

CC(C)CC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C)C2CC2

InChI

InChI=1S/C16H23NO4S/c1-12(2)10-16(18)17(14-8-9-14)11-13-6-4-5-7-15(13)21-22(3,19)20/h4-7,12,14H,8-11H2,1-3H3