[4-[[3-methylbutyl(propanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutyl(propanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl(propanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl(1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl(propanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl(propionyl)amino]methyl]phenyl] ester Formula: C16H25NO4S MolecularWeight: 327.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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