[2-[[butan-2-yl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-[[butan-2-yl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [2-[[2-methylpropanoyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[butan-2-yl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[butan-2-yl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[isobutyryl(sec-butyl)amino]methyl]phenyl] ester Formula: C16H25NO4S MolecularWeight: 327.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO4S/c1-6-13(4)17(16(18)12(2)3)11-14-9-7-8-10-15(14)21-22(5,19)20/h7-10,12-13H,6,11H2,1-5H3