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

Systemtic Name: [4-[[butanoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butanoyl(isopentyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl(1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butanoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyryl(isoamyl)amino]methyl]phenyl] ester Formula: C17H27NO4S MolecularWeight: 341.46558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4S/c1-5-6-17(19)18(12-11-14(2)3)13-15-7-9-16(10-8-15)22-23(4,20)21/h7-10,14H,5-6,11-13H2,1-4H3