[4-[[(3-bromophenyl)carbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3-bromophenyl)carbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl-(3-bromobenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3-bromophenyl)-oxomethyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl-(3-bromobenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl-(3-bromobenzoyl)amino]methyl]phenyl] ester Formula: C22H20BrNO4S MolecularWeight: 474.3675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H20BrNO4S/c1-29(26,27)28-21-12-10-18(11-13-21)16-24(15-17-6-3-2-4-7-17)22(25)19-8-5-9-20(23)14-19/h2-14H,15-16H2,1H3