[4-[[(4-bromophenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-bromophenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-bromobenzoyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-bromophenyl)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-bromobenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-bromobenzoyl)-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrNO5S/c1-28(24,25)27-18-10-4-15(5-11-18)13-22(14-19-3-2-12-26-19)20(23)16-6-8-17(21)9-7-16/h4-11,19H,2-3,12-14H2,1H3