[3-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isobutyl(pentanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methylpropyl(1-oxopentyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isobutyl(valeryl)amino]methyl]phenyl] ester Formula: C17H27NO4S MolecularWeight: 341.46558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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