[4-[[(4-methylphenyl)carbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-methylphenyl)carbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl-(4-methylbenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-methylphenyl)-oxomethyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl-(4-methylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(p-toluoyl)amino]methyl]phenyl] ester Formula: C23H23NO4S MolecularWeight: 409.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C23H23NO4S/c1-18-8-12-21(13-9-18)23(25)24(16-19-6-4-3-5-7-19)17-20-10-14-22(15-11-20)28-29(2,26)27/h3-15H,16-17H2,1-2H3