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

Systemtic Name: [3-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[3-cyclopentylpropanoyl(isobutyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[(3-cyclopentyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[3-cyclopentylpropanoyl(isobutyl)amino]methyl]phenyl] ester Formula: C20H31NO4S MolecularWeight: 381.52944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)CCC2CCCC2

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)CCC2CCCC2

InChI

InChI=1S/C20H31NO4S/c1-16(2)14-21(20(22)12-11-17-7-4-5-8-17)15-18-9-6-10-19(13-18)25-26(3,23)24/h6,9-10,13,16-17H,4-5,7-8,11-12,14-15H2,1-3H3