[4-[[hexanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[hexanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(hexanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[1-oxohexyl-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(hexanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(caproyl)amino]methyl]phenyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CCCCCC(=O)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C21H27NO4S/c1-3-4-6-11-21(23)22(16-18-9-7-5-8-10-18)17-19-12-14-20(15-13-19)26-27(2,24)25/h5,7-10,12-15H,3-4,6,11,16-17H2,1-2H3