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

Systemtic Name: [4-[[(2-methylphenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-methylbenzoyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2-methylphenyl)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[o-toluoyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C21H25NO5S/c1-16-6-3-4-8-20(16)21(23)22(15-19-7-5-13-26-19)14-17-9-11-18(12-10-17)27-28(2,24)25/h3-4,6,8-12,19H,5,7,13-15H2,1-2H3